BNS

benzenesulfonic acid

Created:1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count16
Aromatic Bond Count6
2D diagram of BNS

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Chemical Component Summary

Namebenzenesulfonic acid
Systematic Name (OpenEye OEToolkits)benzenesulfonic acid
FormulaC6 H6 O3 S
Molecular Weight158.175
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(O)c1ccccc1
SMILESCACTVS3.370O[S](=O)(=O)c1ccccc1
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)S(=O)(=O)O
Canonical SMILESCACTVS3.370 O[S](=O)(=O)c1ccccc1
Canonical SMILESOpenEye OEToolkits1.7.0 c1ccc(cc1)S(=O)(=O)O
InChIInChI1.03 InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
InChIKeyInChI1.03 SRSXLGNVWSONIS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03848 
NameBenzenesulfinic acid
Groups experimental
Synonyms
  • Benzenesulfinic acid
  • benzenesulphinic acid
Categories
  • Acids
  • Acids, Noncarboxylic
  • Sulfur Acids
  • Sulfur Compounds
CAS number618-41-7

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Oxysterols receptor LXR-betaMSSPTTSSLDTPLPGNGPPQPGAPSSSPTVKEEGPEPWPGGPDPDVPGTD...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 7371, 122424353
ChEMBL CHEMBL1422641
ChEBI CHEBI:64455
CCDC/CSD FEYZOY, FIRHOG, DIQMOI, GOQVIU, GABDUI, CALWUI01, BIDJII, BENSCU, GUPXIB, EWEQUU, EVONIN, DIRKEW, GUVCEH, GEHJIN, AMUYAK, DICGOM, ASEFIQ