ChemSpider 2D Image | Methyl 4-{[4-(5-carbamoyl-2H-tetrazol-2-yl)phenyl]sulfamoyl}benzoate | C16H14N6O5S

Methyl 4-{[4-(5-carbamoyl-2H-tetrazol-2-yl)phenyl]sulfamoyl}benzoate

  • Molecular FormulaC16H14N6O5S
  • Average mass402.385 Da
  • Monoisotopic mass402.074646 Da
  • ChemSpider ID30678100

More details:

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

4-{[4-(5-Carbamoyl-2H-tétrazol-2-yl)phényl]sulfamoyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[4-[5-(aminocarbonyl)-2H-tetrazol-2-yl]phenyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
Methyl 4-{[4-(5-carbamoyl-2H-tetrazol-2-yl)phenyl]sulfamoyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[4-(5-carbamoyl-2H-tetrazol-2-yl)phenyl]sulfamoyl}benzoat [German] [ACD/IUPAC Name]
1396877-44-3 [RN]
methyl 4-(N-(4-(5-carbamoyl-2H-tetrazol-2-yl)phenyl)sulfamoyl)benzoate
methyl 4-{[4-(5-carbamoyl-2H-1,2,3,4-tetrazol-2-yl)phenyl]sulfamoyl}benzoate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 655.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.4±34.3 °C
Index of Refraction: 1.721
Molar Refractivity: 99.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.07
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.15
Polar Surface Area: 168 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 71.9±7.0 dyne/cm
Molar Volume: 251.4±7.0 cm3

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