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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:51 UTC
Update Date2025-03-25 00:47:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159870
Frequency0.5
Structure
Chemical FormulaC11H14ClN3O2S
Molecular Mass287.0495
SMILESO=S(=O)(c1cc2c(cc1Cl)NCN2)N1CCCC1
InChI KeyARLSSDNRPUVOGB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass benzimidazoles
Direct Parent benzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • organosulfonamides
  • pyrrolidines
  • secondary alkylarylamines
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • organochloride
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • aromatic heteropolycyclic compound
  • benzimidazole
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • aryl chloride
  • azacycle
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aryl halide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine