DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:52 UTC
Update Date	2025-03-25 00:52:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194046
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅ClN₂O₄S
Molecular Mass	318.0441
SMILES	CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CC1
InChI Key	PXQSTAPXZKXDIT-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-halobenzoic acids amino acids aryl chlorides azacyclic compounds benzenesulfonyl compounds benzoic acids benzoyl derivatives chlorobenzenes halobenzoic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-methylpiperazines organic oxides organochlorides organooxygen compounds organopnictogen compounds organosulfonamides sulfonyls trialkylamines vinylogous halides
Substituents	organosulfonic acid or derivatives 2-halobenzoic acid carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid organochloride benzoyl organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide organic oxide piperazine organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid tertiary amine organoheterocyclic compound benzenesulfonyl group aryl chloride chlorobenzene halobenzoic acid benzenesulfonamide azacycle n-alkylpiperazine tertiary aliphatic amine n-methylpiperazine benzoic acid or derivatives halobenzoic acid or derivatives vinylogous halide 2-halobenzoic acid or derivatives aryl halide monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives 1,4-diazinane hydrocarbon derivative organic nitrogen compound halobenzene amine organooxygen compound

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