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Substance Name: 4-Iodobenzenesulfonamide
RN: 825-86-5
InChIKey: KQZFABSTXSNEQH-UHFFFAOYSA-N

Note

  • Used as carrier for red cell labelling.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H6-I-N-O2-S

Molecular Weight

  • 283.084
 
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Names and Synonyms

Name of Substance

  • 4-Iodobenzenesulfonamide

Synonyms

  • 3-11-00-00110 (Beilstein Handbook Reference)
  • BRN 2691658
  • p-Iodobenzenesulfonamide

Systematic Name

  • Benzenesulfonamide, p-iodo-

Registry Numbers

CAS Registry Number

  • 825-86-5

System Generated Number

  • 0000825865

Structure Descriptors

InChI

1S/C6H6INO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)

InChIKey

KQZFABSTXSNEQH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 933mg/kg (933mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 548, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.59 (none)   EXP
Water Solubility 675 mg/L 25 EST
Vapor Pressure 1.61E-05 mm Hg 25 EST
Henry's Law Constant 9.79E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.75E-13 cm3/molecule-sec 25 EST

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