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Substance Name: 4-Ethylsulfonylnaphthalene-1-sulfonamide
RN: 842-00-2
InChIKey: BLQOLXMZXQXGOL-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Tumor Data

Molecular Formula

  • C12-H13-N-O4-S2

Molecular Weight

  • 299.3697
 
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Names and Synonyms

Name of Substance

  • 4-Ethylsulfonylnaphthalene-1-sulfonamide

Synonyms

  • 4-(Ethylsulfonyl)-1-naphthalenesulfonamide
  • 4-11-00-00615 (Beilstein Handbook Reference)
  • 4-Ethylsulphonylnaphthalene-1-sulfonamide
  • 4-Ethylsulphonylnaphthalene-1-sulphonamide
  • BRN 2153432
  • CCRIS 1566
  • ENS

Systematic Names

  • 1-Naphthalenesulfonamide, 4-(ethylsulfonyl)-
  • 4-Ethylsulfonylnaphthalene-1-sulfonamide

Registry Numbers

CAS Registry Number

  • 842-00-2

System Generated Number

  • 0000842002

Structure Descriptors

InChI

1S/C12H13NO4S2/c1-2-18(14,15)11-7-8-12(19(13,16)17)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3,(H2,13,16,17)

InChIKey

BLQOLXMZXQXGOL-UHFFFAOYSA-N

Smiles

c12c(c(ccc1S(CC)(=O)=O)S(N)(=O)=O)cccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.24 (none)   EXP
Water Solubility 96.1 mg/L 25 EST
Vapor Pressure 1.54E-09 mm Hg 25 EST
Henry's Law Constant 1.27E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.44E-12 cm3/molecule-sec 25 EST

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