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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:42 UTC
Update Date2025-03-21 18:41:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135646
Frequency18.5
Structure
Chemical FormulaC13H7Cl3N2O3S
Molecular Mass375.9243
SMILESN#Cc1cc(S(N)(=O)=O)c(Cl)cc1Oc1ccc(Cl)cc1Cl
InChI KeyNVBWWSICKQBDKC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • aryl chlorides
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • benzonitriles
  • diarylethers
  • dichlorobenzenes
  • hydrocarbon derivatives
  • nitriles
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • organosulfonic acid or derivatives
  • ether
  • nitrile
  • organochloride
  • organosulfur compound
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • carbonitrile
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • benzenesulfonamide
  • aminosulfonyl compound
  • benzonitrile
  • aryl halide
  • aromatic homomonocyclic compound
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound