ChemSpider 2D Image | N,N'-(3S,4S)-3,4-Pyrrolidinediylbis[N-(4-iodobenzyl)benzenesulfonamide] | C30H29I2N3O4S2

N,N'-(3S,4S)-3,4-Pyrrolidinediylbis[N-(4-iodobenzyl)benzenesulfonamide]

  • Molecular FormulaC30H29I2N3O4S2
  • Average mass813.508 Da
  • Monoisotopic mass812.968872 Da
  • ChemSpider ID25051280

  • 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-[(4-iodophenyl)methyl]- [ACD/Index Name]
N,N'-(3S,4S)-3,4-Pyrrolidindiylbis[N-(4-iodbenzyl)benzolsulfonamid] [German] [ACD/IUPAC Name]
N,N'-(3S,4S)-3,4-Pyrrolidinediylbis[N-(4-iodobenzyl)benzenesulfonamide] [ACD/IUPAC Name]
N,N'-(3S,4S)-3,4-Pyrrolidinediylbis[N-(4-iodobenzyl)benzènesulfonamide] [French] [ACD/IUPAC Name]
N,N'-(3s,4s)-Pyrrolidine-3,4-Diylbis[n-(4-Iodobenzyl)benzenesulfonamide]
QN2

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

Density: 1.8±0.1 g/cm3
Boiling Point: 806.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 441.4±37.1 °C
Index of Refraction: 1.750
Molar Refractivity: 181.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.46
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 659.15
ACD/KOC (pH 5.5): 732.90
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 33588.11
ACD/KOC (pH 7.4): 37346.17
Polar Surface Area: 104 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 445.3±5.0 cm3

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