ChemSpider 2D Image | N-{(2R,3S)-3-[(3-Chlorobenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzenesulfonamide | C27H33ClN2O4S

N-{(2R,3S)-3-[(3-Chlorobenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzenesulfonamide

  • Molecular FormulaC27H33ClN2O4S
  • Average mass517.080 Da
  • Monoisotopic mass516.184937 Da
  • ChemSpider ID7822437
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Benzenesulfonamide, N-[(2R,3S)-3-[[(3-chlorophenyl)methyl]amino]-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethyl- [ACD/Index Name]
N-{(2R,3S)-3-[(3-Chlorbenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzolsulfonamid [German] [ACD/IUPAC Name]
N-{(2R,3S)-3-[(3-Chlorobenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzenesulfonamide [ACD/IUPAC Name]
N-{(2R,3S)-3-[(3-Chlorobenzyl)amino]-2-hydroxy-4-phénylbutyl}-4-méthoxy-2,3,6-triméthylbenzènesulfonamide [French] [ACD/IUPAC Name]
benzenesulfonamide-chlorophenyl hybrid compound 5
C5M

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 690.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 371.5±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 142.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 133.61
ACD/KOC (pH 5.5): 276.44
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 6449.71
ACD/KOC (pH 7.4): 13344.62
Polar Surface Area: 96 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 419.3±3.0 cm3

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