NPs Basic Information

Name
Sulfacetamide
Molecular Formula C8H10N2O3S
IUPAC Name*
N-(4-aminophenyl)sulfonylacetamide
SMILES
CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
InChIKey
SKIVFJLNDNKQPD-UHFFFAOYSA-N
Synonyms
sulfacetamide; 144-80-9; Sulphacetamide; Acetosulfamine; N-((4-Aminophenyl)sulfonyl)acetamide; N-Acetylsulfanilamide; N-Sulfanilylacetamide; Albucid; Acetosulfamin; Urosulfon; N-Sulphanilylacetamide; Sulfacetimide; Acetocid; Sulfacet; Sulfacyl; Sulfanilacetamide; Formosulfacetamide; N-(4-aminophenyl)sulfonylacetamide; Albamine; Sulphasil; Urosulfone; Alesten; Oclucid; Region; Sulamyd; Sulfanilazetamid; p-Aminobenzenesulfonacetamide; Sulf-10; Bleph-10; N-[(4-Aminophenyl)sulfonyl]acetamide; N-Acetyl-4-aminobenzenesulfonamide; Sulfacetamidum; Sulphacetamidum; Steramide; Sebizon; Isopto cetamide; Ophthel-S; p-Aminobenzenesulfonoacetamide; N'-Acetylsulfanilamide; Sulfacetamida; Bleph-10 liquifilm; OP-Sulfa 30; Sulfacylum; Sulfacel-15; Acetamide, N-sulfanilyl-; Klaron; N-((p-Aminophenyl)sulfonyl)acetamide; N(sup1)-Acetylsulfanilamide; A-500; Ocusulf-10; Sulfair-15; Sulten-10; N-(4-Aminophenylsulfonyl)acetamide; SULSTER; Sulf-15; N-[(p-Aminophenyl)sulfonyl]acetamide; FML-S; N(sup 1)-Acetyl-4-aminophenylsulfonamide; Sulfanilamide, N(sup 1)-acetyl-; Acetamide, N-((4-aminophenyl)sulfonyl)-; Acetamide, N-[(4-aminophenyl)sulfonyl]-; NSC 63871; N-(p-Aminobenzenesulfonyl)acetamide; N(1)-acetylsulfanilamide; MFCD00066501; NSC-63871; CHEMBL455; Triple sulfa (sulfacetamide); Metimyd; MLS000069710; Solfacetamide; CHEBI:63845; OCUSULF-30; BLEPH-30; N-acetyl-4-amino-benzenesulfonamide; N(1)-acetyl-4-aminophenylsulfonamide; 4965G3J0F5; Sulfacyl (VAN); NCGC00018242-04; NCGC00018242-07; SMR000058173; N1-Acetylsulfanilamide; Solfacetamide [DCIT]; Sulfacetamide 100 microg/mL in Acetonitrile; DSSTox_CID_6060; 5414-91-5; DSSTox_RID_78000; Sulfanilazetamid [German]; DSSTox_GSID_26060; N-Acetylsulfanilamine; Sulfacetamidum [INN-Latin]; N-(4-Aminobenzenesulfonyl)acetamide; Sulfacetamida [INN-Spanish]; N(sup 1)-Acetylsulfanilamide; Caswell No. 808A; CAS-144-80-9; CCRIS 6273; EINECS 205-640-6; Sulfacetamide (USP/INN); EPA Pesticide Chemical Code 077904; BRN 0981718; AI3-26837; Sulfacetamide [USP:INN:BAN]; UNII-4965G3J0F5; Sulfacetamide, 1; CETAPRED; PREDAMIDE; Spectrum_000984; Opera_ID_1990; Prestwick0_000014; Prestwick1_000014; Prestwick2_000014; Prestwick3_000014; Spectrum2_001318; Spectrum3_001017; Spectrum4_001146; Spectrum5_001230; WLN: ZR DSWMV1; SULFACETAMIDE [MI]; CBChromo1_000180; Sulfanilamide, N1-acetyl-; 4-acetylaminosulfonylaniline; SULFACETAMIDE [INN]; NCIOpen2_002838; Sulfacetamide, >=98.0%; Oprea1_686524; Oprea1_810285; SCHEMBL40863; BSPBio_000047; BSPBio_002773; CBDivE_013934; KBioGR_001691; KBioSS_001464; SULFACETAMIDE [VANDF]; 4-14-00-02662 (Beilstein Handbook Reference); MLS001076499; DivK1c_000227; SPECTRUM1500545; SULFACETAMIDE [MART.]; SPBio_001415; SPBio_001968; SULFACETAMIDE [WHO-DD]; SULFACETAMIDE [WHO-IP]; BPBio1_000053; DTXSID8026060; HMS500L09; KBio1_000227; KBio2_001464; KBio2_004032; KBio2_006600; KBio3_001993; 4-[(acetylamino)sulfonyl]aniline; NINDS_000227; 4-[(acetylamino) sulfonyl]aniline; HMS1921A11; HMS2092I13; HMS2232K07; HMS3259G06; HMS3374O02; Pharmakon1600-01500545; SULFACETAMIDE [ORANGE BOOK]; Sulfacetamide, >=98.0% (NT); HY-N7123; NSC63871; ZINC5179119; SULFACETAMIDE (TRIPLE SULFA); SULFACETAMIDE [USP IMPURITY]; Tox21_110846; Tox21_201999; Tox21_303100; AC2473; BBL012083; BDBM50316126; CCG-39256; NSC757323; s5546; STK068185; TRYSUL COMPONENT SULFACETAMIDE; SULFACETAMIDUM [WHO-IP LATIN]; SULTRIN COMPONENT SULFACETAMIDE; VAGILIA COMPONENT SULFACETAMIDE; AKOS000119729; N-[(4-aminobenzene)sulfonyl]acetamide; Tox21_110846_1; AC-7630; DB00634; KS-5327; NC00538; NSC-757323; GYNE-SULF COMPONENT SULFACETAMIDE; IDI1_000227; SULFACETAMIDE COMPONENT OF TRYSUL; NCGC00018242-01; NCGC00018242-02; NCGC00018242-03; NCGC00018242-05; NCGC00018242-06; NCGC00018242-08; NCGC00021857-03; NCGC00021857-04; NCGC00021857-05; NCGC00257159-01; NCGC00259548-01; SULFACETAMIDE COMPONENT OF SULTRIN; SULFACETAMIDE COMPONENT OF VAGILIA; SY014752; SBI-0051519.P003; DB-042749; SULFACETAMIDE COMPONENT OF GYNE-SULF; CS-0013812; FT-0631838; S0577; EN300-18138; SULFADIMIDINE IMPURITY E [EP IMPURITY]; D05947; AB00052094_14; SR-01000000194; Sulfacetamide, VETRANAL(TM), analytical standard; TRIPLE SULFA (SULFACETAMIDE) [ORANGE BOOK]; Q-201757; Q2022983; SR-01000000194-2; Sulfacetamide, Antibiotic for Culture Media Use Only; BRD-K21520694-001-12-3; N-((4-AMINOPHENYL)SULFONYL)ACETAMIDE [WHO-IP]; Z57202572; Sulfacetamide, United States Pharmacopeia (USP) Reference Standard
CAS 144-80-9
PubChem CID 5320
ChEMBL ID CHEMBL455
*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: 214.24 ALogp: -1.0
HBD: 2 HBA: 4
Rotatable Bonds: 2 Lipinski's rule of five: Accepted
Polar Surface Area: 97.6 Aromatic Rings: 1
Heavy Atoms: 14 QED Weighted: 0.701

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -5.292 MDCK Permeability: 0.00008540
Pgp-inhibitor: 0.001 Pgp-substrate: 0.07
Human Intestinal Absorption (HIA): 0.005 20% Bioavailability (F20%): 0.002
30% Bioavailability (F30%): 0.002

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.04 Plasma Protein Binding (PPB): 21.35%
Volume Distribution (VD): 0.396 Fu: 74.97%

ADMET: Metabolism

CYP1A2-inhibitor: 0.006 CYP1A2-substrate: 0.113
CYP2C19-inhibitor: 0.018 CYP2C19-substrate: 0.779
CYP2C9-inhibitor: 0.015 CYP2C9-substrate: 0.257
CYP2D6-inhibitor: 0.002 CYP2D6-substrate: 0.11
CYP3A4-inhibitor: 0.013 CYP3A4-substrate: 0.675

ADMET: Excretion

Clearance (CL): 0.688 Half-life (T1/2): 0.14

ADMET: Toxicity

hERG Blockers: 0.011 Human Hepatotoxicity (H-HT): 0.479
Drug-inuced Liver Injury (DILI): 0.981 AMES Toxicity: 0.013
Rat Oral Acute Toxicity: 0.003 Maximum Recommended Daily Dose: 0.012
Skin Sensitization: 0.084 Carcinogencity: 0.065
Eye Corrosion: 0.003 Eye Irritation: 0.019
Respiratory Toxicity: 0.01
*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
ENC000115 0.571 D0M4VM 1.000
ENC000112 0.475 D0R9OH 0.500
ENC000109 0.466 D07JJS 0.500
ENC000113 0.459 D09TBD 0.483
ENC000114 0.452 D00BCP 0.482
ENC000072 0.340 D0H1GJ 0.475
ENC001108 0.320 D0D4CY 0.466
ENC000200 0.306 D05LKP 0.466
ENC000870 0.304 D0T1GT 0.460
ENC000106 0.304 D0V9YR 0.459
*Note: the compound similarity was calculated by RDKIT.