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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:55 UTC
Update Date2025-03-21 18:41:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00133871
Frequency18.8
Structure
Chemical FormulaC12H10ClF3N2O3S
Molecular Mass354.0053
SMILESNS(=O)(=O)c1cc(C(F)(F)F)c(NCc2ccco2)cc1Cl
InChI KeyMLWKIZPCVGMBKU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • aminosulfonyl compounds
  • aryl chlorides
  • benzenesulfonyl compounds
  • chlorobenzenes
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organofluorides
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • phenylalkylamines
  • secondary alkylarylamines
  • trifluoromethylbenzenes
    • Substituents
  • furan
  • organosulfonic acid or derivatives
  • aromatic heteromonocyclic compound
  • organochloride
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • trifluoromethylbenzene
  • organoheterocyclic compound
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • benzenesulfonamide
  • aminosulfonyl compound
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aryl halide
  • oxacycle
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • phenylalkylamine
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • amine
  • organooxygen compound