ChemSpider 2D Image | N-({(3R,4R)-4-[(Benzyloxy)methyl]-3-pyrrolidinyl}methyl)-N-isobutylbenzenesulfonamide | C23H32N2O3S

N-({(3R,4R)-4-[(Benzyloxy)methyl]-3-pyrrolidinyl}methyl)-N-isobutylbenzenesulfonamide

  • Molecular FormulaC23H32N2O3S
  • Average mass416.577 Da
  • Monoisotopic mass416.213348 Da
  • ChemSpider ID25060884

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N-(2-methylpropyl)-N-[[(3R,4R)-4-[(phenylmethoxy)methyl]-3-pyrrolidinyl]methyl]- [ACD/Index Name]
N-({(3R,4R)-4-[(Benzyloxy)methyl]-3-pyrrolidinyl}methyl)-N-isobutylbenzenesulfonamide [ACD/IUPAC Name]
N-({(3R,4R)-4-[(Benzyloxy)méthyl]-3-pyrrolidinyl}méthyl)-N-isobutylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-({(3R,4R)-4-[(Benzyloxy)methyl]-3-pyrrolidinyl}methyl)-N-isobutylbenzolsulfonamid [German] [ACD/IUPAC Name]
N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide
BZN
N-{[(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl]methyl}-N-(2-methylpropyl)benzenesulfonamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 541.5±46.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.3±29.0 °C
Index of Refraction: 1.552
Molar Refractivity: 118.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.17
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 4.26
ACD/KOC (pH 7.4): 23.34
Polar Surface Area: 67 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 370.3±3.0 cm3

Click to predict properties on the Chemicalize site


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