ChemSpider 2D Image | N,N'-(3S,4S)-3,4-Pyrrolidinediylbis(N-benzyl-2-chlorobenzenesulfonamide) | C30H29Cl2N3O4S2

N,N'-(3S,4S)-3,4-Pyrrolidinediylbis(N-benzyl-2-chlorobenzenesulfonamide)

  • Molecular FormulaC30H29Cl2N3O4S2
  • Average mass630.605 Da
  • Monoisotopic mass629.097656 Da
  • ChemSpider ID25047821

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N,N'-(3S,4S)-3,4-pyrrolidinediylbis[2-chloro-N-(phenylmethyl)- [ACD/Index Name]
N,N'-(3S,4S)-3,4-Pyrrolidindiylbis(N-benzyl-2-chlorbenzolsulfonamid) [German] [ACD/IUPAC Name]
N,N'-(3S,4S)-3,4-Pyrrolidinediylbis(N-benzyl-2-chlorobenzenesulfonamide) [ACD/IUPAC Name]
N,N'-(3S,4S)-3,4-Pyrrolidinediylbis(N-benzyl-2-chlorobenzènesulfonamide) [French] [ACD/IUPAC Name]
N,N'-(3s,4s)-Pyrrolidine-3,4-Diylbis(N-Benzyl-2-Chlorobenzenesulfonamide)
QN3

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

Density: 1.5±0.1 g/cm3
Boiling Point: 780.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 425.6±35.7 °C
Index of Refraction: 1.699
Molar Refractivity: 165.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 204.15
ACD/KOC (pH 5.5): 346.00
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 10305.02
ACD/KOC (pH 7.4): 17465.11
Polar Surface Area: 104 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 428.3±5.0 cm3

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