ChemSpider 2D Image | N-{1-[(1S,5S)-Adamantan-2-yl]ethyl}-4-methylbenzenesulfonamide | C19H27NO2S

N-{1-[(1S,5S)-Adamantan-2-yl]ethyl}-4-methylbenzenesulfonamide

  • Molecular FormulaC19H27NO2S
  • Average mass333.488 Da
  • Monoisotopic mass333.176239 Da
  • ChemSpider ID57318661

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

Benzenesulfonamide, 4-methyl-N-[1-[(1S,5S)-tricyclo[3.3.1.13,7]dec-2-yl]ethyl]- [ACD/Index Name]
N-{1-[(1S,5S)-Adamantan-2-yl]ethyl}-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-{1-[(1S,5S)-Adamantan-2-yl]éthyl}-4-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-{1-[(1S,5S)-Adamantan-2-yl]ethyl}-4-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
N-[1-(2-adamantyl)ethyl]-4-methylbenzenesulfonamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 465.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.5±26.8 °C
Index of Refraction: 1.564
Molar Refractivity: 93.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 4015.74
ACD/KOC (pH 5.5): 13218.09
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 4015.54
ACD/KOC (pH 7.4): 13217.43
Polar Surface Area: 55 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 286.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement