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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:34 UTC
Update Date2025-03-25 00:54:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204857
Frequency0.5
Structure
Chemical FormulaC11H6ClF9N2O4S2
Molecular Mass499.9314
SMILESO=S1(=O)NCNc2cc(Cl)c(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc21
InChI KeyGHGGUYFLNPUSLH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiadiazines
Subclass benzothiadiazines
Direct Parent 1,2,4-benzothiadiazine-1,1-dioxides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl fluorides
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organofluorides
  • organopnictogen compounds
  • organosulfonamides
  • secondary alkylarylamines
  • sulfones
    • Substituents
  • organosulfonic acid or derivatives
  • organochloride
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1,2,4-benzothiadiazine-1,1-dioxide
  • alkyl halide
  • aryl chloride
  • azacycle
  • alkyl fluoride
  • organofluoride
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aryl halide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • sulfone