CHEBI:83459 - N4-acetylsulfathiazole

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ChEBI Name N4-acetylsulfathiazole
ChEBI ID CHEBI:83459
ChEBI ASCII Name N(4)-acetylsulfathiazole
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H11N3O3S2
Net Charge 0
Average Mass 297.35300
Monoisotopic Mass 297.02418
InChI InChI=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)
InChIKey KXNXWINFSDKMHD-UHFFFAOYSA-N
SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Roles Classification
Biological Role(s): marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
4-acetylamino-N-thiazol-2-yl-benzenesulfonamide ChEBI
Acetylsulfathiazole ChemIDplus
Registry Numbers Types Sources
127-76-4 CAS Registry Number ChemIDplus
287921 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
637396 PubMed citation Europe PMC
Last Modified
07 November 2014
General Comment
2014-10-29 Metabolite of Sulfathiazol