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Substance Name: Benzenesulfonamide
RN: 98-10-2
InChIKey: KHBQMWCZKVMBLN-UHFFFAOYSA-N

Classification Codes

  • Carbonic Anhydrase Inhibitors
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors

Molecular Formula

  • C6-H7-N-O2-S

Molecular Weight

  • 157.1923
 
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Names and Synonyms

Name of Substance

  • Benzenesulfonamide

Synonyms

  • 4-11-00-00050 (Beilstein Handbook Reference)
  • AI3-04492
  • Benzenesulphonamide
  • Benzolsulfonamide
  • Benzosulfonamide
  • BRN 1100566
  • EC 202-637-1
  • EINECS 202-637-1
  • M and B 7973
  • NSC 5341

Systematic Names

  • Benzenesulfonamide
  • Benzenesulphonamide

Registry Numbers

CAS Registry Number

  • 98-10-2

Related Registry Number

  • 18522-93-5 (mono-hydrochloride salt)

System Generated Number

  • 0000098102

Structure Descriptors

InChI

1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

InChIKey

KHBQMWCZKVMBLN-UHFFFAOYSA-N

Smiles

c1(ccccc1)S(N)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 600mg/kg (600mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(6), Pg. 19, 1971.
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 548, 1965.
mouse LD50 oral 740mg/kg (740mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 19(12), Pg. 47, 1975.
rabbit LD50 oral 600mg/kg (600mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(6), Pg. 19, 1971.
rat LD50 oral 991mg/kg (991mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1073, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 151 deg C   EXP
pKa Dissociation Constant 10.1 (none)   EXP
log P (octanol-water) 0.31 (none)   EXP
Water Solubility 4300 mg/L 16 EXP
Vapor Pressure 8.94E-04 mm Hg 25 EST
Henry's Law Constant 4.22E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.17E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.