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CHEBI:83459 - N4-acetylsulfathiazole

ChEBI IDCHEBI:83459
ChEBI NameN4-acetylsulfathiazole
Stars
ASCII NameN(4)-acetylsulfathiazole
DefinitionA sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 1,3-thiazol-2-yl group at the nitrogen atom. It is a metabolite of sulfathiazole.
Last Modified7 November 2014
DownloadsMolfile
FormulaC11H11N3O3S2
Net Charge0
Average Mass297.361
Monoisotopic Mass297.02418
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C11H11N3O3S2/c1-8(15)13-9-2-4-10(5-3-9)19(16,17)14-11-12-6-7-18-11/h2-7H,1H3,(H,12,14)(H,13,15)
InChIKeyKXNXWINFSDKMHD-UHFFFAOYSA-N
Roles Classification
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
N4-acetylsulfathiazole (CHEBI:83459) has role marine xenobiotic metabolite (CHEBI:83399)
N4-acetylsulfathiazole (CHEBI:83459) is a 1,3-thiazoles (CHEBI:38418)
N4-acetylsulfathiazole (CHEBI:83459) is a acetamides (CHEBI:22160)
N4-acetylsulfathiazole (CHEBI:83459) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
Synonyms  Source
4-acetylamino-N-thiazol-2-yl-benzenesulfonamideChEBI
AcetylsulfathiazoleChemIDplus
Registry NumbersSources
Reaxys:287921Reaxys
CAS:127-76-4ChemIDplus
Citations