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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:32 UTC
Update Date2025-03-25 00:57:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223394
Frequency0.5
Structure
Chemical FormulaC9H13ClN4O2S
Molecular Mass276.0448
SMILESNC(N)=NCCS(=O)(=O)Nc1ccc(Cl)cc1
InChI KeyCMOUFWWXAJUTFX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass sulfanilides
Direct Parent sulfanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • aryl chlorides
  • carboximidamides
  • chlorobenzenes
  • guanidines
  • hydrocarbon derivatives
  • organic oxides
  • organic sulfonamides
  • organochlorides
  • organopnictogen compounds
  • organosulfonamides
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • organosulfonic acid or derivatives
  • guanidine
  • organochloride
  • organosulfur compound
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • aryl chloride
  • chlorobenzene
  • aminosulfonyl compound
  • organic 1,3-dipolar compound
  • carboximidamide
  • aryl halide
  • aromatic homomonocyclic compound
  • sulfanilide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • organic sulfonic acid amide