ChemSpider 2D Image | Cyanomethyl 4-{[(4-methylphenyl)sulfonyl]amino}benzoate | C16H14N2O4S

Cyanomethyl 4-{[(4-methylphenyl)sulfonyl]amino}benzoate

  • Molecular FormulaC16H14N2O4S
  • Average mass330.358 Da
  • Monoisotopic mass330.067413 Da
  • ChemSpider ID28502563

More details:

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

4-{[(4-Méthylphényl)sulfonyl]amino}benzoate de cyanométhyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(4-methylphenyl)sulfonyl]amino]-, cyanomethyl ester [ACD/Index Name]
Cyanmethyl-4-{[(4-methylphenyl)sulfonyl]amino}benzoat [German] [ACD/IUPAC Name]
Cyanomethyl 4-{[(4-methylphenyl)sulfonyl]amino}benzoate [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 555.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.7±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 84.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.52
ACD/KOC (pH 5.5): 605.00
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 19.70
ACD/KOC (pH 7.4): 218.60
Polar Surface Area: 105 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 242.6±3.0 cm3

Click to predict properties on the Chemicalize site


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