ChemSpider 2D Image | (2R)-N-{4-[(3-Bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide | C16H12BrClF3NO4S

(2R)-N-{4-[(3-Bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

  • Molecular FormulaC16H12BrClF3NO4S
  • Average mass486.688 Da
  • Monoisotopic mass484.931091 Da
  • ChemSpider ID35034902

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-N-{4-[(3-Bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide [ACD/IUPAC Name]
(2R)-N-{4-[(3-Bromophényl)sulfonyl]-2-chlorophényl}-3,3,3-trifluoro-2-hydroxy-2-méthylpropanamide [French] [ACD/IUPAC Name]
(2R)-N-{4-[(3-Bromphenyl)sulfonyl]-2-chlorphenyl}-3,3,3-trifluor-2-hydroxy-2-methylpropanamid [German] [ACD/IUPAC Name]
Propanamide, N-[4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methyl-, (2R)- [ACD/Index Name]
2QJ

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

Density: 1.7±0.1 g/cm3
Boiling Point: 631.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.8±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 607.07
ACD/KOC (pH 5.5): 3418.56
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 606.10
ACD/KOC (pH 7.4): 3413.07
Polar Surface Area: 92 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 286.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement