ChemSpider 2D Image | N-[1-(3-Chloro-4-nitrobenzyl)-3-piperidinyl]methanesulfonamide | C13H18ClN3O4S

N-[1-(3-Chloro-4-nitrobenzyl)-3-piperidinyl]methanesulfonamide

  • Molecular FormulaC13H18ClN3O4S
  • Average mass347.818 Da
  • Monoisotopic mass347.070648 Da
  • ChemSpider ID35188186

More details:






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

Methanesulfonamide, N-[1-[(3-chloro-4-nitrophenyl)methyl]-3-piperidinyl]- [ACD/Index Name]
N-[1-(3-Chlor-4-nitrobenzyl)-3-piperidinyl]methansulfonamid [German] [ACD/IUPAC Name]
N-[1-(3-Chloro-4-nitrobenzyl)-3-piperidinyl]methanesulfonamide [ACD/IUPAC Name]
N-[1-(3-Chloro-4-nitrobenzyl)-3-pipéridinyl]méthanesulfonamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 496.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 254.0±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 84.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.97
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 11.42
ACD/KOC (pH 7.4): 180.74
Polar Surface Area: 104 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 243.1±5.0 cm3

Click to predict properties on the Chemicalize site






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