ChemSpider 2D Image | 2,5-Dibromo-N-[(3R,5S)-1-(iminomethyl)-5-methyl-3-pyrrolidinyl]benzenesulfonamide | C12H15Br2N3O2S

2,5-Dibromo-N-[(3R,5S)-1-(iminomethyl)-5-methyl-3-pyrrolidinyl]benzenesulfonamide

  • Molecular FormulaC12H15Br2N3O2S
  • Average mass425.139 Da
  • Monoisotopic mass422.925171 Da
  • ChemSpider ID26325718

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,5-Dibrom-N-[(3R,5S)-1-(iminomethyl)-5-methyl-3-pyrrolidinyl]benzolsulfonamid [German] [ACD/IUPAC Name]
2,5-Dibromo-N-[(3R,5S)-1-(iminomethyl)-5-methyl-3-pyrrolidinyl]benzenesulfonamide [ACD/IUPAC Name]
2,5-Dibromo-N-[(3R,5S)-1-(iminométhyl)-5-méthyl-3-pyrrolidinyl]benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 2,5-dibromo-N-[(3R,5S)-1-(iminomethyl)-5-methyl-3-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 492.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 251.8±31.5 °C
Index of Refraction: 1.691
Molar Refractivity: 86.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.32
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.33
Polar Surface Area: 82 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 225.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement