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Substance Name: Benzenesulfonamide, 3-amino-
RN: 98-18-0
InChIKey: JPVKCHIPRSQDKL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H8-N2-O2-S

Molecular Weight

  • 172.207
 
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Names and Synonyms

Synonyms

  • 3-Aminobenzenesulfonamide
  • 3-Aminosulfonylaniline
  • 4-14-00-02648 (Beilstein Handbook Reference)
  • Benzenesulfonamide, 3-amino-
  • Benzenesulfonamide, m-amino-
  • BRN 0511851
  • EINECS 202-646-0
  • m-Aminobenzenesulfonamide
  • m-Aminobenzenesulphonamide
  • m-Sulfamoylaniline
  • NSC 7542

Systematic Names

  • Benzenesulfonamide, 3-amino-
  • m-Aminobenzenesulphonamide
  • Metanilamide

Registry Numbers

CAS Registry Number

  • 98-18-0

Other Registry Number

  • 4431-73-6

System Generated Number

  • 0000098180

Structure Descriptors

InChI

1S/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)

InChIKey

JPVKCHIPRSQDKL-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)N)S(N)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 4500mg/kg (4500mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 10, Pg. 319, 1937.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 2.9 (none) 25 EXP
log P (octanol-water) -0.38 (none)   EXP
Water Solubility 1.27E+05 mg/L 25 EST
Vapor Pressure 2.09E-05 mm Hg 25 EST
Henry's Law Constant 1.49E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.30E-11 cm3/molecule-sec 25 EST

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