ChemSpider 2D Image | 5-Bromo-N-[(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophenesulfonamide | C12H14BrN3O3S2

5-Bromo-N-[(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophenesulfonamide

  • Molecular FormulaC12H14BrN3O3S2
  • Average mass392.292 Da
  • Monoisotopic mass390.965973 Da
  • ChemSpider ID30763036

More details:

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

2-Thiophenesulfonamide, 5-bromo-N-[(1,4,6,7-tetrahydro-1-methylpyrano[4,3-c]pyrazol-3-yl)methyl]- [ACD/Index Name]
5-Brom-N-[(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophensulfonamid [German] [ACD/IUPAC Name]
5-Bromo-N-[(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophenesulfonamide [ACD/IUPAC Name]
5-Bromo-N-[(1-méthyl-1,4,6,7-tétrahydropyrano[4,3-c]pyrazol-3-yl)méthyl]-2-thiophènesulfonamide [French] [ACD/IUPAC Name]
1797681-85-6 [RN]
5-bromo-N-((1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl)thiophene-2-sulfonamide
5-bromo-N-({1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}methyl)thiophene-2-sulfonamide

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

Density: 1.8±0.1 g/cm3
Boiling Point: 574.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 301.1±32.9 °C
Index of Refraction: 1.745
Molar Refractivity: 86.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.82
ACD/KOC (pH 5.5): 494.99
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 38.71
ACD/KOC (pH 7.4): 469.35
Polar Surface Area: 110 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 67.8±7.0 dyne/cm
Molar Volume: 213.5±7.0 cm3

Click to predict properties on the Chemicalize site


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