ChemSpider 2D Image | 4-(Ethylsulfonyl)-2-{[(2-methoxy-5-methylphenyl)sulfonyl]amino}butanoic acid | C14H21NO7S2

4-(Ethylsulfonyl)-2-{[(2-methoxy-5-methylphenyl)sulfonyl]amino}butanoic acid

  • Molecular FormulaC14H21NO7S2
  • Average mass379.449 Da
  • Monoisotopic mass379.075928 Da
  • ChemSpider ID34739036

More details:

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

4-(Ethylsulfonyl)-2-{[(2-methoxy-5-methylphenyl)sulfonyl]amino}butanoic acid [ACD/IUPAC Name]
4-(Ethylsulfonyl)-2-{[(2-methoxy-5-methylphenyl)sulfonyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide 4-(éthylsulfonyl)-2-{[(2-méthoxy-5-méthylphényl)sulfonyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-(ethylsulfonyl)-2-[[(2-methoxy-5-methylphenyl)sulfonyl]amino]- [ACD/Index 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: 663.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 354.8±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 88.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 278.9±3.0 cm3

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