DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:30 UTC
Update Date	2025-03-25 00:47:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161295
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₃ClN₆O₄S₂
Molecular Mass	404.0128
SMILES	NC(N)=Nc1nc(CNc2cc(Cl)c(S(N)(=O)=O)cc2C(=O)O)cs1
InChI Key	FLFSAICMMBPMMS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzenesulfonamides
Direct Parent	benzenesulfonamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 2,4-disubstituted thiazoles 4-halobenzoic acids amino acids aminosulfonyl compounds aryl chlorides azacyclic compounds benzenesulfonyl compounds benzoic acids benzoyl derivatives chlorobenzenes guanidines halobenzoic acids heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organochlorides organooxygen compounds organopnictogen compounds organosulfonamides phenylalkylamines propargyl-type 1,3-dipolar organic compounds secondary alkylarylamines vinylogous amides
Substituents	carboxylic acid amino acid or derivatives organochloride benzoyl organonitrogen compound 1-carboxy-2-haloaromatic compound organoheterocyclic compound benzenesulfonyl group aryl chloride chlorobenzene vinylogous amide halobenzoic acid benzenesulfonamide 4-halobenzoic acid azacycle heteroaromatic compound organic 1,3-dipolar compound secondary aliphatic/aromatic amine aryl halide 4-halobenzoic acid or derivatives hydrocarbon derivative halobenzene thiazole amine organosulfonic acid or derivatives aromatic heteromonocyclic compound amino acid guanidine organosulfur compound carboxylic acid derivative organohalogen compound propargyl-type 1,3-dipolar organic compound organosulfonic acid amide organic oxide organopnictogen compound benzoic acid azole aminosulfonyl compound benzoic acid or derivatives halobenzoic acid or derivatives secondary amine monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives 2,4-disubstituted 1,3-thiazole phenylalkylamine organic nitrogen compound organooxygen compound

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