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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:48:30 UTC
Update Date2025-03-21 18:01:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00034915
Frequency102.6
Structure
Chemical FormulaC21H22F3N3O2S
Molecular Mass437.1385
SMILESCCN(CC)S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1
InChI KeyLJHQSMUFCCAUPT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass pyrazoles
Direct Parent phenylpyrazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • aminosulfonyl compounds
  • azacyclic compounds
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • toluenes
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid amide
  • phenylpyrazole
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • benzenesulfonyl group
  • benzenesulfonamide
  • azacycle
  • aminosulfonyl compound
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • toluene