Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-Bromobenzenesulfonamide
RN: 701-34-8
InChIKey: STYQHICBPYRHQK-UHFFFAOYSA-N

Note

  • A metabolite of ebrotidine.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H6-Br-N-O2-S

Molecular Weight

  • 236.088
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 4-Bromobenzenesulfonamide

Synonyms

  • 3-11-00-00104 (Beilstein Handbook Reference)
  • 4-Bromobenzenesulfonamide
  • AI3-00699
  • BRN 2691657
  • NSC 31049
  • p-Bromobenzenesulfonamide

Systematic Names

  • Benzenesulfonamide, 4-bromo- (9CI)
  • Benzenesulfonamide, p-bromo-

Registry Numbers

CAS Registry Number

  • 701-34-8

System Generated Number

  • 0000701348

Structure Descriptors

InChI

1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)

InChIKey

STYQHICBPYRHQK-UHFFFAOYSA-N

Smiles

NS(=O)(=O)c1ccc(Br)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 548, 1965.
mouse LD50 oral 1700mg/kg (1700mg/kg)   Acta Biologica et Medica Germanica. Vol. 21, Pg. 193, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.36 (none)   EXP
Water Solubility 1950 mg/L 25 EST
Vapor Pressure 5.48E-05 mm Hg 25 EST
Henry's Law Constant 1.68E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.62E-13 cm3/molecule-sec 25 EST

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