N(4)-acetylsulfamethazine (CHEBI:83457)

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ChEBI Name	N⁴-acetylsulfamethazine

ChEBI ID	CHEBI:83457

ChEBI ASCII Name	N(4)-acetylsulfamethazine

Definition	A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 4,6-dimethyl-pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the antibiotic sulfamethazine.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C14H16N4O3S

Net Charge

Average Mass

320.36700

Monoisotopic Mass

320.09431

InChI

InChI=1S/C14H16N4O3S/c1-9-8-10(2)16-14(15-9)18-22(20,21)13-6-4-12(5-7-13)17-11(3)19/h4-8H,1-3H3,(H,17,19)(H,15,16,18)

InChIKey

LJKAKWDUZRJNPJ-UHFFFAOYSA-N

SMILES

CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1

Roles Classification
Biological Role(s):	marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.

ChEBI Ontology
Outgoing	N⁴-acetylsulfamethazine (CHEBI:83457) has role marine xenobiotic metabolite (CHEBI:83399) N⁴-acetylsulfamethazine (CHEBI:83457) is a acetamides (CHEBI:22160) N⁴-acetylsulfamethazine (CHEBI:83457) is a pyrimidines (CHEBI:39447) N⁴-acetylsulfamethazine (CHEBI:83457) is a sulfonamide (CHEBI:35358)

IUPAC Name

N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide

Synonym	Source
4-acetylamino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide	ChEBI

Last Modified

07 November 2014

General Comment
2014-10-29	Metabolite of Sulfamethazin