DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:03 UTC
Update Date	2025-03-25 00:46:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153626
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₃ClN₂O₆S
Molecular Mass	360.0183
SMILES	COc1ccc(CNc2cc(Cl)c(S(N)(=O)=O)cc2C(=O)O)o1
InChI Key	ZLIXJZZKYFOVEO-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 4-halobenzoic acids alkyl aryl ethers amino acids aminosulfonyl compounds aryl chlorides benzenesulfonyl compounds benzoic acids benzoyl derivatives chlorobenzenes furans halobenzoic acids heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organochlorides organopnictogen compounds organosulfonamides oxacyclic compounds 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 heteroaromatic compound secondary aliphatic/aromatic amine aryl halide 4-halobenzoic acid or derivatives hydrocarbon derivative halobenzene amine furan organosulfonic acid or derivatives ether aromatic heteromonocyclic compound amino acid alkyl aryl ether organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide organic oxide organopnictogen compound benzoic acid aminosulfonyl compound benzoic acid or derivatives halobenzoic acid or derivatives secondary amine oxacycle monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives phenylalkylamine organic nitrogen compound organooxygen compound

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