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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:52 UTC
Update Date2025-03-21 18:33:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00097753
Frequency28.2
Structure
Chemical FormulaC16H13F3N4O2S
Molecular Mass382.0711
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cn2)cc1
InChI KeyYMFHCLGDGUOYHI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrazolylpyridines
Direct Parent pyrazolylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl fluorides
  • aminosulfonyl compounds
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • phenylpyrazoles
  • polyhalopyridines
  • pyridinesulfonamides
  • toluenes
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • organosulfur compound
  • organohalogen compound
  • pyrazole
  • organosulfonic acid amide
  • phenylpyrazole
  • organic oxide
  • pyridine-3-sulfonamide
  • organonitrogen compound
  • organopnictogen compound
  • 2-pyrazolylpyridine
  • alkyl halide
  • 2-halopyridine
  • azole
  • azacycle
  • aminosulfonyl compound
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • methylpyridine
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • toluene