ChemSpider 2D Image | N-[(2S)-2-[4-(Dimethylamino)phenyl]-2-(2-thienylsulfonyl)ethyl]-3,4-dimethoxybenzenesulfonamide | C22H26N2O6S3

N-[(2S)-2-[4-(Dimethylamino)phenyl]-2-(2-thienylsulfonyl)ethyl]-3,4-dimethoxybenzenesulfonamide

  • Molecular FormulaC22H26N2O6S3
  • Average mass510.647 Da
  • Monoisotopic mass510.095306 Da
  • ChemSpider ID62430361

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenesulfonamide, N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(2-thienylsulfonyl)ethyl]-3,4-dimethoxy- [ACD/Index Name]
N-[(2S)-2-[4-(Dimethylamino)phenyl]-2-(2-thienylsulfonyl)ethyl]-3,4-dimethoxybenzenesulfonamide [ACD/IUPAC Name]
N-[(2S)-2-[4-(Diméthylamino)phényl]-2-(2-thiénylsulfonyl)éthyl]-3,4-diméthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
N-[(2S)-2-[4-(Dimethylamino)phenyl]-2-(2-thienylsulfonyl)ethyl]-3,4-dimethoxybenzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 725.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.5±35.7 °C
Index of Refraction: 1.605
Molar Refractivity: 130.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 248.16
ACD/KOC (pH 5.5): 1771.59
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 262.70
ACD/KOC (pH 7.4): 1875.39
Polar Surface Area: 147 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 379.6±3.0 cm3

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