NPs Basic Information

Name
Sulfadiazine
Molecular Formula C10H10N4O2S
IUPAC Name*
4-amino-N-pyrimidin-2-ylbenzenesulfonamide
SMILES
C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
InChIKey
SEEPANYCNGTZFQ-UHFFFAOYSA-N
Synonyms
sulfadiazine; 68-35-9; Sulphadiazine; Sulfapyrimidine; Sulfadiazin; Adiazine; Sulfazine; Sulfadiazene; Adiazin; Debenal; Pyrimal; Liquadiazine; Sulfapyrimidin; 2-Sulfanilamidopyrimidine; Coco-Diazine; Cremodiazine; Spofadrizine; Theradiazine; Cremotres; Deltazina; Diazolone; Eskadiazine; Microsulfon; Neotrizine; Palatrize; Piridisir; Quadetts; Quadramoid; Sanodiazine; Sterazine; Sulfatryl; Sulfolex; Sulfonsol; Terfonyl; Trifonamide; Truozine; Diazin; Neazine; Pirimal; Sulfose; Trisem; Sulfanilamidopyrimidine; Honey diazine; Lipo-Levazine; Tri-Sulfameth; Triple Sulfas; Lipo-Diazine; Metha-Meridiazine; Sulfadiazinum; Diazovit; Sulfadiazina; Sulphadiazine E; 4-amino-N-(pyrimidin-2-yl)benzenesulfonamide; Sulfapirimidin; Di-Azo-Mul; Thi-Di-Mer; 2-Sulfanilylaminopyrimidine; Benzenesulfonamide, 4-amino-N-2-pyrimidinyl-; Codiazine; Silvadene; Pecta-diazine, suspension; 4-amino-N-pyrimidin-2-ylbenzenesulfonamide; RP 2616; Pyrimidine, 2-sulfanilamido-; 2-Sulfapyrimidine; N(1)-2-pyrimidylsulfanilamide; N(1)-2-pyrimidinylsulfanilamide; 4-AMINO-N-2-PYRIMIDINYLBENZENESULFONAMIDE; N(sup 1)-2-Pyrimidinylsulfanilamide; 4-amino-N-(pyrimidin-2-yl)benzene-1-sulfonamide; Sulfanilamide, N1-2-pyrimidinyl-; 4-amino-N-pyrimidin-2-yl-benzenesulfonamide; CHEBI:9328; Sulfanilamide, N(sup 1)-2-pyrimidinyl-; 4-Amino-N-2-pyrimidinyl-benzenesulfonamide; N(sup1)-2-Pyrimidylsulfanilamide; Sulfanilamide, N1-2(1H)-pyrimidinylidene-; silver sulfadiazine; A-306; N(sup1)-2-Pyrimidinylsulfanilamide; CHEMBL439; S. N. 112; NSC35600; NSC-35600; CAS-68-35-9; NCGC00016305-01; Solfadiazina; CocoDiazine; Solfadiazina [DCIT]; Sulfadiazine 100 microg/mL in Acetonitrile; 0N7609K889; 2-Sulfanilamidopyrimidin; NSC117870; Sulfapyrimidin [German]; SDZ; Sulfadiazinum [INN-Latin]; Sulfadiazina [INN-Spanish]; Sildaflo; S.N. 112; 2-Sulfanilamidopyrimidin [German]; A-306 (VAN); 4-Amino-N-(2-pyrimidinyl)benzenesulfonamide; A 306; SMR000059113; Sulfadiazine (TN); N-(2-Pyrimidinyl)sulfanilamide; rBPI21 & Sulfa; RP-2616; SR-01000002973; SSD; EINECS 200-685-8; MFCD00006065; NSC 35600; 2-Sulfanilamido-pyrimidine; BRN 0235192; diazine; CRL-8131 & Sulfadiazine; N1-2-Pyrimidinylsulfanilamide; Sulfadiazine (JAN/USP/INN); AI3-01047; Sulfadiazine,(S); Trisulfapyrimidine, oral suspension; UNII-0N7609K889; Sulfadiazine [USP:INN:BAN:JAN]; Prestwick_428; Spectrum_000986; Sulfadiazina Reig Jofre; Sulfacombin (Salt/Mix); Prestwick0_000023; Prestwick1_000023; Prestwick2_000023; Prestwick3_000023; Spectrum2_001319; Spectrum3_001362; Spectrum4_000342; Spectrum5_000992; SULFADIAZINE [MI]; [(4-aminophenyl)sulfonyl]pyrimidin-2-ylamine; SULFADIAZINE [INN]; SULFADIAZINE [JAN]; Epitope ID:140083; N1-2-Pyrimidylsulfanilamide; Sulfadiazine, >=99.0%; DSSTox_CID_24130; DSSTox_RID_80105; SULFADIAZINE [VANDF]; DSSTox_GSID_44130; Oprea1_081078; SCHEMBL24176; BSPBio_000085; BSPBio_002884; KBioGR_000743; KBioSS_001466; SULFADIAZINE [MART.]; 5-25-10-00067 (Beilstein Handbook Reference); MLS000069423; MLS006011457; DivK1c_000543; SPECTRUM1500546; SULFADIAZINE [USP-RS]; SULFADIAZINE [WHO-DD]; SPBio_001417; SPBio_002006; BPBio1_000095; WLN: T6N CNJ BMSWR DZ; DTXSID7044130; HMS501L05; KBio1_000543; KBio2_001466; KBio2_004034; KBio2_006602; KBio3_002104; SULFADIAZINE [GREEN BOOK]; NINDS_000543; GLXC-25873; HMS1568E07; HMS1921A13; HMS2090P09; HMS2092I15; HMS2095E07; HMS2235D19; HMS3371L19; HMS3655I10; HMS3712E07; Pharmakon1600-01500546; SULFADIAZINE [ORANGE BOOK]; ZINC120319; SULFADIAZINE [EP MONOGRAPH]; SULFADIAZINE [USP IMPURITY]; ALBB-014888; AMY33423; BCP12140; HY-B0273; SULFADIAZINE [USP MONOGRAPH]; Tox21_110360; BBL013169; BDBM50166571; CCG-39257; NSC757324; Recombinant bactericidal/permeability-increasing protein & Sulfadiazine; s1770; STK317797; SULFOSE COMPONENT SULFADIAZINE; TERFONYL COMPONENT SULFADIAZINE; 2-(p-Aminobenzenesulfonamido)pyrimidin; AKOS000119073; LANTRISUL COMPONENT SULFADIAZINE; SULFALOID COMPONENT SULFADIAZINE; DB00359; KS-1144; NSC-757324; 2-(4-Aminobenzenesulfonamido)pyrimidine; 4-amino-N-2-pyrimidylbenzenesulfonamide; IDI1_000543; NEOTRIZINE COMPONENT SULFADIAZINE; SULFADIAZINE COMPONENT OF SULFOSE; NCGC00016305-02; NCGC00016305-03; NCGC00016305-04; NCGC00016305-05; NCGC00016305-06; NCGC00016305-09; NCGC00016305-10; NCGC00016305-11; NCGC00023291-03; NCGC00023291-04; SULFADIAZINE (TRISULFAPYRIMIDINES); SULFADIAZINE COMPONENT OF TERFONYL; TRISULFAPYRIMIDINES (SULFADIAZINE); 2-(4-Aminobenzenesulfonylamino)pyrimidine; AC-26817; SULFADIAZINE COMPONENT OF LANTRISUL; SULFADIAZINE COMPONENT OF SULFALOID; 4-amino-N-2-pyrimidinyl benzenesulfonamide; SBI-0051520.P003; SULFADIAZINE COMPONENT OF NEOTRIZINE; TRIPLE SULFOID COMPONENT SULFADIAZINE; 4-[[(Pyrimidin-2-yl)amino]sulfonyl]aniline; AB00052095; Benzenesulfonamide,4-amino-N-2-pyrimidinyl-; FT-0674739; FT-0674740; FT-0674741; S0579; Sulfadiazine 1000 microg/mL in Acetonitrile; Sulfadiazine for identification of impurity F; SW196657-3; 4-amino-N-(2-pyrimidinyl) benzenesulfonamide; EN300-19076; SULFADIMIDINE IMPURITY B [EP IMPURITY]; 4-Amino-N-(2-pyrimidinyl)benzenesulfonamide #; 68S359; C07658; D00587; D92267; SULFADIAZINE COMPONENT OF TRIPLE SULFOID; Trisulfapyrimidine, oral suspension (Salt/Mix); AB00052095-13; AB00052095-14; AB00052095_15; AB00052095_16; Benzenesulfonamide, 4-amino-N-(2-pyrimidinyl)-; Sulfadiazine, VETRANAL(TM), analytical standard; A836115; Q-201759; Q2555060; SR-01000002973-2; SR-01000002973-3; BRD-K32273377-001-05-4; BRD-K32273377-001-09-6; F1657-1720; Sulfadiazine, certified reference material, TraceCERT(R); TRISULFAPYRIMIDINES (SULFADIAZINE) [ORANGE BOOK]; Z104472626; Sulfadiazine, European Pharmacopoeia (EP) Reference Standard; Sulfadiazine, United States Pharmacopeia (USP) Reference Standard; 4-Amino-N-(2-pyrimidinyl)benzenesulfonamide, N1-(Pyrimidin-2-yl)sulfanilamide; Sulfadiazine, Pharmaceutical Secondary Standard; Certified Reference Material; 141582-64-1; Sulfadiazine for identification of impurity F, European Pharmacopoeia (EP) Reference Standard
CAS 68-35-9
PubChem CID 5215
ChEMBL ID CHEMBL439
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Benzenoids
      • Class: Benzene and substituted d
        • Subclass: Benzenesulfonamides
          • Direct Parent: Aminobenzenesulfonamides

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference
Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.
**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name
Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name

NPs Physi-Chem Properties

Molecular Weight: 250.28 ALogp: -0.1
HBD: 2 HBA: 6
Rotatable Bonds: 3 Lipinski's rule of five: Accepted
Polar Surface Area: 106.0 Aromatic Rings: 2
Heavy Atoms: 17 QED Weighted: 0.799

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -5.347 MDCK Permeability: 0.00002030
Pgp-inhibitor: 0.001 Pgp-substrate: 0.001
Human Intestinal Absorption (HIA): 0.017 20% Bioavailability (F20%): 0.002
30% Bioavailability (F30%): 0.023

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.043 Plasma Protein Binding (PPB): 51.60%
Volume Distribution (VD): 0.582 Fu: 59.73%

ADMET: Metabolism

CYP1A2-inhibitor: 0.028 CYP1A2-substrate: 0.434
CYP2C19-inhibitor: 0.043 CYP2C19-substrate: 0.082
CYP2C9-inhibitor: 0.029 CYP2C9-substrate: 0.382
CYP2D6-inhibitor: 0.024 CYP2D6-substrate: 0.072
CYP3A4-inhibitor: 0.042 CYP3A4-substrate: 0.48

ADMET: Excretion

Clearance (CL): 2.152 Half-life (T1/2): 0.227

ADMET: Toxicity

hERG Blockers: 0.034 Human Hepatotoxicity (H-HT): 0.95
Drug-inuced Liver Injury (DILI): 0.986 AMES Toxicity: 0.029
Rat Oral Acute Toxicity: 0.113 Maximum Recommended Daily Dose: 0.043
Skin Sensitization: 0.173 Carcinogencity: 0.887
Eye Corrosion: 0.004 Eye Irritation: 0.308
Respiratory Toxicity: 0.345
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs Similar Drugs
NPs ID NPs 2D Structure Similarity Score TTD ID Drug 2D Structure Similarity Score
ENC000112 0.661 D05LKP 1.000
ENC000113 0.538 D0H1GJ 0.661
ENC000114 0.507 D0D4CY 0.655
ENC000111 0.466 D08JCA 0.644
ENC000115 0.453 D07SYJ 0.629
ENC001517 0.333 D0V9YR 0.538
ENC001224 0.316 D0R9OH 0.508
ENC001375 0.254 D07JJS 0.508
ENC004416 0.240 D07PAO 0.493
ENC000169 0.231 D0A4YE 0.480
*Note: the compound similarity was calculated by RDKIT.