ChemSpider 2D Image | 1-{1-[(4-Nitrophenyl)sulfonyl]-4-piperidinyl}-5-oxo-3-pyrrolidinecarboxylic acid | C16H19N3O7S

1-{1-[(4-Nitrophenyl)sulfonyl]-4-piperidinyl}-5-oxo-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC16H19N3O7S
  • Average mass397.403 Da
  • Monoisotopic mass397.094360 Da
  • ChemSpider ID32418118

More details:

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

1-{1-[(4-Nitrophenyl)sulfonyl]-4-piperidinyl}-5-oxo-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
1-{1-[(4-Nitrophenyl)sulfonyl]-4-piperidinyl}-5-oxo-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[1-[(4-nitrophenyl)sulfonyl]-4-piperidinyl]-5-oxo- [ACD/Index Name]
Acide 1-{1-[(4-nitrophényl)sulfonyl]-4-pipéridinyl}-5-oxo-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 679.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 364.8±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 93.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.91
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 73.6±3.0 dyne/cm
Molar Volume: 258.8±3.0 cm3

Click to predict properties on the Chemicalize site


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