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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:16 UTC
Update Date2025-03-25 00:53:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199580
Frequency0.5
Structure
Chemical FormulaC8H8F3NO2S
Molecular Mass239.0228
SMILESCc1ccccc1NS(=O)(=O)C(F)(F)F
InChI KeyNRKGEKKXOAEQQN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass sulfanilides
Direct Parent sulfanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • aminosulfonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic sulfonamides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • toluenes
  • trihalomethanes
    • Substituents
  • organosulfonic acid or derivatives
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • halomethane
  • trihalomethane
  • aminosulfonyl compound
  • alkyl fluoride
  • organofluoride
  • aromatic homomonocyclic compound
  • sulfanilide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic sulfonic acid amide
  • toluene