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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:32 UTC
Update Date2025-03-21 18:39:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123582
Frequency20.9
Structure
Chemical FormulaC7H6Cl2N2O2S
Molecular Mass251.9527
SMILESO=S1(=O)NCNc2cc(Cl)cc(Cl)c21
InChI KeyKWEXCLLDWYAJRB-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
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • organosulfonamides
  • secondary alkylarylamines
    • Substituents
  • aryl chloride
  • organosulfonic acid or derivatives
  • azacycle
  • organochloride
  • secondary amine
  • organohalogen compound
  • secondary aliphatic/aromatic amine
  • aryl halide
  • organosulfonic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • 1,2,4-benzothiadiazine-1,1-dioxide
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine