ChemSpider 2D Image | 3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid | C18H16N2O5S

3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid

  • Molecular FormulaC18H16N2O5S
  • Average mass372.395 Da
  • Monoisotopic mass372.078003 Da
  • ChemSpider ID35035079

More details:






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

3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoesäure [German] [ACD/IUPAC Name]
3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid [ACD/IUPAC Name]
Acide 3-(3,5-diméthyl-1,2-oxazol-4-yl)-5-[(phénylsulfonyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(3,5-dimethyl-4-isoxazolyl)-5-[(phenylsulfonyl)amino]- [ACD/Index Name]
37N

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

Density: 1.4±0.1 g/cm3
Boiling Point: 589.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 310.4±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 3.89
ACD/KOC (pH 5.5): 27.57
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.49
Polar Surface Area: 118 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 264.9±3.0 cm3

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