DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:37 UTC
Update Date	2025-03-25 00:54:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209580
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₄ClN₃O₄S
Molecular Mass	355.0394
SMILES	CC(Nc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O)c1ccccn1
InChI Key	HOHHTSBBBVNZAH-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-halopyridines 4-halobenzoic acids amino acids aminosulfonyl compounds aryl chlorides azacyclic compounds benzenesulfonyl compounds benzoic acids benzoyl derivatives chlorobenzenes halobenzoic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines methylpyridines monocarboxylic acids and derivatives organic oxides organochlorides organooxygen compounds organopnictogen compounds organosulfonamides phenylalkylamines 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 secondary aliphatic/aromatic amine aryl halide 4-halobenzoic acid or derivatives pyridine hydrocarbon derivative halobenzene amine organosulfonic acid or derivatives aromatic heteromonocyclic compound amino acid organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide organic oxide organopnictogen compound 2-halopyridine benzoic acid aminosulfonyl compound hydroxypyridine benzoic acid or derivatives methylpyridine halobenzoic acid or derivatives secondary amine monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives phenylalkylamine organic nitrogen compound organooxygen compound

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