ChemSpider 2D Image | N-[(3S)-1-Benzyl-3-isobutyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-methylbenzenesulfonamide | C26H28N2O3S

N-[(3S)-1-Benzyl-3-isobutyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-methylbenzenesulfonamide

  • Molecular FormulaC26H28N2O3S
  • Average mass448.577 Da
  • Monoisotopic mass448.182068 Da
  • ChemSpider ID30659097

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenesulfonamide, N-[(3S)-2,3-dihydro-3-(2-methylpropyl)-2-oxo-1-(phenylmethyl)-1H-indol-3-yl]-4-methyl- [ACD/Index Name]
N-[(3S)-1-Benzyl-3-isobutyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-[(3S)-1-Benzyl-3-isobutyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-[(3S)-1-Benzyl-3-isobutyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-methylbenzolsulfonamid [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: 657.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.6±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3161.22
ACD/KOC (pH 5.5): 11136.71
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3095.26
ACD/KOC (pH 7.4): 10904.36
Polar Surface Area: 75 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 351.3±5.0 cm3

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