ChemSpider 2D Image | N-[(1S,2R,4S)-Bicyclo[2.2.1]hept-5-en-2-ylmethyl]-2,4,6-triisopropylbenzenesulfonamide | C23H35NO2S

N-[(1S,2R,4S)-Bicyclo[2.2.1]hept-5-en-2-ylmethyl]-2,4,6-triisopropylbenzenesulfonamide

  • Molecular FormulaC23H35NO2S
  • Average mass389.595 Da
  • Monoisotopic mass389.238861 Da
  • ChemSpider ID62686703

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzenesulfonamide, N-[(1S,2R,4S)-bicyclo[2.2.1]hept-5-en-2-ylmethyl]-2,4,6-tris(1-methylethyl)- [ACD/Index Name]
N-[(1S,2R,4S)-Bicyclo[2.2.1]hept-5-en-2-ylmethyl]-2,4,6-triisopropylbenzenesulfonamide [ACD/IUPAC Name]
N-[(1S,2R,4S)-Bicyclo[2.2.1]hept-5-én-2-ylméthyl]-2,4,6-triisopropylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-[(1S,2R,4S)-Bicyclo[2.2.1]hept-5-en-2-ylmethyl]-2,4,6-triisopropylbenzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 478.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.2±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 113.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 24957.58
ACD/KOC (pH 5.5): 48876.79
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 24955.99
ACD/KOC (pH 7.4): 48873.68
Polar Surface Area: 55 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 364.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement