NPs Basic Information

Name
Sulfanilamide
Molecular Formula C6H8N2O2S
IUPAC Name*
4-aminobenzenesulfonamide
SMILES
C1=CC(=CC=C1N)S(=O)(=O)N
InChI
InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChIKey
FDDDEECHVMSUSB-UHFFFAOYSA-N
Synonyms
sulfanilamide; 4-Aminobenzenesulfonamide; 63-74-1; Sulphanilamide; Sulfamine; p-Aminobenzenesulfonamide; Sulphonamide; Sulfonylamide; 4-Aminobenzene-1-Sulfonamide; p-Aminobenzenesulfamide; Prontylin; Prontosil Album; Bacteramid; Streptasol; Streptocid; p-Sulfamoylaniline; Sulfonamide P; Prontosil I; Benzenesulfonamide, 4-amino-; Estreptocida; Exoseptoplix; Streptoclase; p-Sulfamidoaniline; Sulfamidyl; Sulfanalone; Sulfanidyl; Sulfanil; Sulfocidine; Sulfana; 4-Sulfamoylaniline; Sulfanilimidic acid; p-Anilinesulfonamide; p-Aminophenylsulfonamide; Ambeside; Antistrept; Astreptine; Astrocid; Bactesid; Collomide; Colsulanyde; Copticide; Deseptyl; Ergaseptine; Erysipan; Gombardol; Lysococcine; Neococcyl; Orgaseptine; Prontalbin; Proseptal; Proseptine; Proseptol; Pysococcine; Septanilam; Septinal; Septolix; Septoplex; Septoplix; Strepamide; Strepsan; Streptagol; Streptamid; Streptamin; Streptocide; Streptocom; Strepton; Streptopan; Streptosil; Streptozol; Streptozone; Streptrocide; Sulfocidin; Therapol; Albexan; Albosal; Dipron; Gerison; Infepan; Sanamid; Stramid; Tolder; Lusil; Prontosil White; Pronzin Album; Septamide Album; Stopton Album; Streptocid album; 4-Aminophenylsulfonamide; Rubiazol A; White streptocide; PABS; Streptocide White; p-Aminobenzenesulfonylamide; Aniline-p-sulfonic amide; Fourneau 1162; Sulfanilamide Vaginal Cream; Benzenesulfonamide, p-amino-; 4-azanylbenzenesulfonamide; 4-Amino-benzenesulfonamide; MFCD00007939; p-Aminobenzensulfonamide; Sulphanilamidum; 1162 F; 4-(Aminosulfonyl)aniline; para-aminobenzenesulfonamide; A-349; F 1162; CHEBI:45373; 4-aminobenzene sulfonic acid amide; NSC-7618; CHEMBL21; p-amino benzene sulfonamide; (4-(Aminosulfonyl)phenyl)amine; AVC; Streptocidum; NSC7618; Sulfanilamide Melting Point Standard; Sulfanilamide (INN); 21240MF57M; CAS-63-74-1; NCGC00016285-02; NCGC00016285-05; Sulfanilamida; Sulfanilamidum; 4-Aminobenzenesulphonamide (Sulphanilamide); Sulfanilamide, >=99%; DSSTox_CID_3622; SULFANILAMIDE [INN]; DSSTox_RID_77115; DSSTox_GSID_23622; Streptocide (VAN); Solfanilamide [DCIT]; Caswell No. 809A; Solfanilamide; HSDB 223; Sulfanilamidum [INN-Latin]; Sulfanilamida [INN-Spanish]; SMR000059035; CCRIS 764; SR-01000763435; NSC 7618; EINECS 200-563-4; EPA Pesticide Chemical Code 077902; BRN 0511852; sulfanilamine; Sulfanimide; Sulfanilamide [INN:DCF:NF]; AI3-00952; sulphanilic amide; 4-sulphanilamide; UNII-21240MF57M; Sulfanimide,(S); F-1162; Streptocid (TN); delta-Sulfanilamide; Prestwick_36; 4-sulfamoyl-aniline; sulfanilamide reagent; sulfanilamide-reagent; 4-sulphamoyl aniline; Spectrum_000489; 4-aminobenzensulfonamide; WLN: ZSWR DZ; 4-aminobenzenesulphonamide; p-aminobenzene sulfonamide; Prestwick0_000729; Prestwick1_000729; Prestwick2_000729; Prestwick3_000729; Spectrum2_000846; Spectrum3_001406; Spectrum4_000398; Spectrum5_001081; 4-aminobenzene sulfonamide; 4-aminobenzene-sulfonamide; p-aminosulfonyl phenylamine; SCHEMBL740; SULFANILAMIDE [MI]; 4-amino-benzenesulphonamide; Epitope ID:122232; AVC (TN); SULFANILAMIDE [HSDB]; Oprea1_273157; p-aminobenzene sulfonyl amide; BSPBio_000658; BSPBio_003052; KBioGR_000955; KBioSS_000969; SULFANILAMIDE [VANDF]; 4-14-00-02658 (Beilstein Handbook Reference); MLS001074682; MLS002152940; BIDD:GT0170; DivK1c_000528; SPECTRUM1500646; SULFANILAMIDE [MART.]; SULPHANILAMIDUM [HPUS]; SPBio_000831; SPBio_002597; SULFANILAMIDE [USP-RS]; SULFANILAMIDE [WHO-DD]; aromatic sulfonamide compound 5; BPBio1_000724; halogenosulfanilamide deriv. 5a; ZINC2101; DTXSID4023622; SCHEMBL11880061; BDBM10857; HMS501K10; KBio1_000528; KBio2_000969; KBio2_003537; KBio2_006105; KBio3_002272; Sulfanilamide, p.a., 99.0%; NINDS_000528; HMS1570A20; HMS1921O07; HMS2092E20; HMS2097A20; HMS2233B19; HMS3370J16; HMS3655K19; HMS3714A20; HMS3744M13; Pharmakon1600-01500646; Ro13354; SULFANILAMIDE [ORANGE BOOK]; HY-B0242; SULFANILAMIDE [EP MONOGRAPH]; Tox21_110351; Tox21_201331; Tox21_303336; AC9456; aromatic/heteroaromatic sulfonamide 2; BBL005257; c1264; CCG-40302; NSC757404; s1685; STK298902; UK-124; AKOS000119305; Tox21_110351_1; DB00259; NSC-757404; IDI1_000528; NCGC00016285-01; NCGC00016285-03; NCGC00016285-04; NCGC00016285-06; NCGC00016285-08; NCGC00091144-01; NCGC00091144-02; NCGC00091144-03; NCGC00257174-01; NCGC00258883-01; AS-13239; BP-12552; Sulfanilamide (4-Aminobenzenesulfonamide); SY009959; SBI-0051575.P002; AB00052138; FT-0657032; FT-0674702; S0381; SULFADIAZINE IMPURITY D [EP IMPURITY]; SW196353-3; EN300-16979; SULFADIMIDINE IMPURITY D [EP IMPURITY]; Sulfanilamide 1000 microg/mL in Acetonitrile; Sulfanilamide, JIS special grade, >=99.7%; Sulfanilamide, Vetec(TM) reagent grade, 97%; C07458; D08543; AB00052138-10; AB00052138_11; AB00052138_12; SULFADIMETHOXINE IMPURITY E [EP IMPURITY]; SULFAMETHOXAZOLE IMPURITY E [EP IMPURITY]; A834498; AC-907/25014139; Q423423; Sulfanilamide, VETRANAL(TM), analytical standard; SR-01000763435-2; SR-01000763435-3; SR-01000763435-4; SULFACETAMIDE SODIUM IMPURITY A [EP IMPURITY]; Sulfanilamide (166 degrees C) Melting Point Standard; Z56851240; F2190-0451; BENZENESULFONIC ACID,4-AMINO,AMIDE SULFANILAMIDE; Ethyl1-(aminomethyl)-6,8-dimethoxyisoquinoline-4-carboxylate; Sulfanilamide, European Pharmacopoeia (EP) Reference Standard; Sulfanilamide, United States Pharmacopeia (USP) Reference Standard; Reagecon Melting Point Sulphanilamide +164 to +166 degrees C Standard; SULFADIMETHOXINE SODIUM FOR VETERINARY USE IMPURITY E [EP IMPURITY]; Sulfanilamide Melting Point Standard, United States Pharmacopeia (USP) Reference Standard; 1337-39-9; Sulfanilamide melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material
CAS 63-74-1
PubChem CID 5333
ChEMBL ID CHEMBL21
*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: 172.21 ALogp: -0.6
HBD: 2 HBA: 4
Rotatable Bonds: 1 Lipinski's rule of five: Accepted
Polar Surface Area: 94.6 Aromatic Rings: 1
Heavy Atoms: 11 QED Weighted: 0.598

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -5.237 MDCK Permeability: 0.00035602
Pgp-inhibitor: 0 Pgp-substrate: 0.013
Human Intestinal Absorption (HIA): 0.005 20% Bioavailability (F20%): 0.001
30% Bioavailability (F30%): 0.001

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.047 Plasma Protein Binding (PPB): 33.23%
Volume Distribution (VD): 0.595 Fu: 68.57%

ADMET: Metabolism

CYP1A2-inhibitor: 0.014 CYP1A2-substrate: 0.282
CYP2C19-inhibitor: 0.028 CYP2C19-substrate: 0.324
CYP2C9-inhibitor: 0.027 CYP2C9-substrate: 0.289
CYP2D6-inhibitor: 0.012 CYP2D6-substrate: 0.325
CYP3A4-inhibitor: 0.018 CYP3A4-substrate: 0.268

ADMET: Excretion

Clearance (CL): 1.207 Half-life (T1/2): 0.182

ADMET: Toxicity

hERG Blockers: 0.029 Human Hepatotoxicity (H-HT): 0.265
Drug-inuced Liver Injury (DILI): 0.986 AMES Toxicity: 0.359
Rat Oral Acute Toxicity: 0.52 Maximum Recommended Daily Dose: 0.414
Skin Sensitization: 0.045 Carcinogencity: 0.91
Eye Corrosion: 0.004 Eye Irritation: 0.954
Respiratory Toxicity: 0.322
*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
ENC000111 0.571 D0K1QD 0.649
ENC000109 0.453 D0M4VM 0.571
ENC000112 0.436 D0MA9N 0.490
ENC000113 0.421 D07JJS 0.462
ENC000114 0.414 D0R9OH 0.462
ENC000665 0.273 D0D4CY 0.453
ENC001108 0.261 D05LKP 0.453
ENC000103 0.261 D09TBD 0.444
ENC000005 0.256 D08JCA 0.444
ENC000774 0.255 D0L4JT 0.442
*Note: the compound similarity was calculated by RDKIT.