ChemSpider 2D Image | Octyl [(2,6-diisopropylphenyl)sulfamoyl]acetate | C22H37NO4S

Octyl [(2,6-diisopropylphenyl)sulfamoyl]acetate

  • Molecular FormulaC22H37NO4S
  • Average mass411.599 Da
  • Monoisotopic mass411.244324 Da
  • ChemSpider ID23187021

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(2,6-Diisopropylphényl)sulfamoyl]acétate d'octyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[[2,6-bis(1-methylethyl)phenyl]amino]sulfonyl]-, octyl ester [ACD/Index Name]
Octyl [(2,6-diisopropylphenyl)sulfamoyl]acetate [ACD/IUPAC Name]
octyl {[2,6-di(propan-2-yl)phenyl]sulfamoyl}acetate
Octyl-[(2,6-diisopropylphenyl)sulfamoyl]acetat [German] [ACD/IUPAC Name]
(2,6-Diisopropyl-phenylsulfamoyl)-acetic acid octyl ester
CHEMBL316669
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL316669/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 494.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.7±31.5 °C
Index of Refraction: 1.514
Molar Refractivity: 115.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 80292.51
ACD/KOC (pH 5.5): 112616.59
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 54648.58
ACD/KOC (pH 7.4): 76648.95
Polar Surface Area: 81 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 382.1±3.0 cm3

Click to predict properties on the Chemicalize site


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