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Substance Name: p-Toluenesulfonamide
RN: 70-55-3
UNII: I8266RI90M
InChIKey: LMYRWZFENFIFIT-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C7-H9-N-O2-S

Molecular Weight

  • 171.2191
 
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Names and Synonyms

Name of Substance

  • 4-Toluenesulfonamide
  • p-Toluenesulfonamide

Synonyms

  • 4-11-00-00376 (Beilstein Handbook Reference)
  • 4-Methylbenzenesulfonamide
  • 4-Toluenesulfanamide
  • 4-Toluenesulfonic acid, amide
  • AI3-19503
  • Benzenesulfonamide, 4-methyl-
  • BRN 0472689
  • EC 200-741-1
  • EINECS 200-741-1
  • HSDB 5203
  • NSC 9908
  • p-Methylbenzenesulfonamide
  • p-Toluenesulfamide
  • p-Toluenesulfonamide
  • p-Toluenesulfonylamide
  • p-Tolylsulfonamide
  • p-Tosylamide
  • para-Toluenesulfonamide
  • Toluene-4-sulfonamide
  • Toluene-p-sulphonamide
  • Tolylsulfonamide
  • Tosylamide
  • UNII-I8266RI90M

Systematic Names

  • Benzenesulfonamide, 4-methyl-
  • p-Toluenesulfonamide
  • Toluene-4-sulphonamide

Superlist Names

  • Benzenesulfonamide, 4-methyl-
  • p-Toluenesulfonamide

Registry Numbers

CAS Registry Number

  • 70-55-3

FDA UNII

  • I8266RI90M

System Generated Number

  • 0000070553

Structure Descriptors

InChI

1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)

InChIKey

LMYRWZFENFIFIT-UHFFFAOYSA-N

Smiles

S(=O)(=O)(c1ccc(cc1)C)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 75mg/kg (75mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
guinea pig LDLo subcutaneous 2gm/kg (2000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE WEAKNESS
Journal of Pharmacology and Experimental Therapeutics. Vol. 14, Pg. 259, 1920.
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   National Technical Information Service. Vol. AD691-490,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 138.5 deg C   EXP
pKa Dissociation Constant 10.17 (none) 20 EXP
log P (octanol-water) 0.82 (none)   EXP
Water Solubility 3160 mg/L 25 EXP
Vapor Pressure 9.60E-05 mm Hg 25 EST
Henry's Law Constant 4.70E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.22E-12 cm3/molecule-sec 25 EST

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