ChemSpider 2D Image | Methyl 3-{[4-(4-methyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)phenyl]sulfamoyl}-2-thiophenecarboxylate | C14H13N5O5S2

Methyl 3-{[4-(4-methyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)phenyl]sulfamoyl}-2-thiophenecarboxylate

  • Molecular FormulaC14H13N5O5S2
  • Average mass395.414 Da
  • Monoisotopic mass395.035797 Da
  • ChemSpider ID30679242

More details:

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

2-Thiophenecarboxylic acid, 3-[[[4-(4,5-dihydro-4-methyl-5-oxo-1H-tetrazol-1-yl)phenyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
3-{[4-(4-Méthyl-5-oxo-4,5-dihydro-1H-tétrazol-1-yl)phényl]sulfamoyl}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[4-(4-methyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)phenyl]sulfamoyl}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-{[4-(4-methyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)phenyl]sulfamoyl}-2-thiophencarboxylat [German] [ACD/IUPAC Name]
1396711-08-2 [RN]
methyl 3-(N-(4-(4-methyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)phenyl)sulfamoyl)thiophene-2-carboxylate
methyl 3-{[4-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)phenyl]sulfamoyl}thiophene-2-carboxylate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 563.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.4±32.9 °C
Index of Refraction: 1.731
Molar Refractivity: 96.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.24
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.32
ACD/KOC (pH 5.5): 81.93
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 43.42
Polar Surface Area: 157 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 71.4±7.0 dyne/cm
Molar Volume: 242.2±7.0 cm3

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