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Substance Name: Benzylsulfamide [INN:DCF]
RN: 104-22-3
UNII: AI9WDT80FQ
InChIKey: HLIBJQGJVDHCNB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-N2-O2-S

Molecular Weight

  • 262.3316
 
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Names and Synonyms

Name of Substance

  • Benzylsulfamide [INN:DCF]

Synonyms

  • 3-14-00-02026 (Beilstein Handbook Reference)
  • 4-((Phenylmethyl)amino)benzenesulfonamide
  • 4-Benzylaminobenzolsulfonamid
  • 4-Benzylaminophenylsulfonamid
  • 46 R.P.
  • Bencilsulfamida
  • Bencilsulfamida [Spanish]
  • Benzylsulfamide
  • Benzylsulfamidum
  • Benzylsulfamidum [Latin]
  • Benzylsulfanilamidum
  • BRN 2654538
  • Chemodyn
  • EINECS 203-186-3
  • M. and B. 125
  • N(sup 4)-Benzylsulfanilamide
  • N(sup 4)Benzylsulfanilamide
  • p-Benzylaminobenzenesulfonamide
  • Proseptasine
  • Proseptazine
  • RP 46
  • Septasin
  • Septazine
  • UNII-AI9WDT80FQ

Systematic Names

  • Benzenesulfonamide, 4-((phenylmethyl)amino)- (9CI)
  • Benzylsulfamide
  • N4-Benzylsulfanilamide
  • Sulfanilamide, N(sup 4)-benzyl-

Registry Numbers

CAS Registry Number

  • 104-22-3

FDA UNII

  • AI9WDT80FQ

System Generated Number

  • 0000104223

Structure Descriptors

InChI

1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)

InChIKey

HLIBJQGJVDHCNB-UHFFFAOYSA-N

Smiles

c1ccccc1CNc1ccc(cc1)S(=O)(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 45gm/kg (45000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 65, Pg. 405, 1939.
rabbit LDLo oral 5gm/kg (5000mg/kg)   Journal of Chemotherapy and Advanced Therapeutics. Vol. 14, Pg. 91, 1938.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 171 deg C   EXP
log P (octanol-water) 1.630 (none)   EST
Water Solubility 4300 mg/L 37 EXP
Atmospheric OH Rate Constant 3.65E-11 cm3/molecule-sec 25 EST

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