ChemSpider 2D Image | Methyl 5-chloro-2-{(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino}benzoate | C21H24ClNO6S

Methyl 5-chloro-2-{(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino}benzoate

  • Molecular FormulaC21H24ClNO6S
  • Average mass453.936 Da
  • Monoisotopic mass453.101288 Da
  • ChemSpider ID24541129

More details:

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

5-Chloro-2-{(4-éthoxy-4-oxobutyl)[(4-méthylphényl)sulfonyl]amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-chloro-2-[(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 5-chloro-2-{(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino}benzoate [ACD/IUPAC Name]
Methyl-5-chlor-2-{(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino}benzoat [German] [ACD/IUPAC Name]
247237-43-0 [RN]
5-Chloro-2-[(3-ethoxycarbonyl-propyl)-(toluene-4-sulfonyl)-amino]-benzoic acid methyl ester
5-chloro-2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoic acid methyl ester
5-chloro-2-[(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester
Diethyl 2-acetamido-2-(3-oxo-3-phenylpropyl)malonate
ethyl 4-{[4-chloro-2-(methoxycarbonyl)phenyl][(4-methylphenyl)sulfonyl]amino}butanoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 580.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.8±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 114.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1798.77
ACD/KOC (pH 5.5): 7438.89
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1798.77
ACD/KOC (pH 7.4): 7438.89
Polar Surface Area: 98 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 349.2±3.0 cm3

Click to predict properties on the Chemicalize site


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