ChemSpider 2D Image | N,N'-(3S,4S)-3,4-Pyrrolidinediylbis(N-benzylbenzenesulfonamide) | C30H31N3O4S2

N,N'-(3S,4S)-3,4-Pyrrolidinediylbis(N-benzylbenzenesulfonamide)

  • Molecular FormulaC30H31N3O4S2
  • Average mass561.715 Da
  • Monoisotopic mass561.175598 Da
  • ChemSpider ID25047009

  • 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[N-(phenylmethyl)- [ACD/Index Name]
N,N'-(3S,4S)-3,4-Pyrrolidindiylbis(N-benzylbenzolsulfonamid) [German] [ACD/IUPAC Name]
N,N'-(3S,4S)-3,4-Pyrrolidinediylbis(N-benzylbenzenesulfonamide) [ACD/IUPAC Name]
N,N'-(3S,4S)-3,4-Pyrrolidinediylbis(N-benzylbenzènesulfonamide) [French] [ACD/IUPAC Name]
N,N'-(3s,4s)-Pyrrolidine-3,4-Diylbis(N-Benzylbenzenesulfonamide)
G0G

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.6±35.7 °C
Index of Refraction: 1.691
Molar Refractivity: 155.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 28.07
ACD/KOC (pH 5.5): 73.75
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 1415.11
ACD/KOC (pH 7.4): 3717.65
Polar Surface Area: 104 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 406.9±5.0 cm3

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