ChemSpider 2D Image | 3-Chloro-N-{[2-(dimethylamino)-4-pyrimidinyl]methyl}-2-fluoro-N-methylbenzenesulfonamide | C14H16ClFN4O2S

3-Chloro-N-{[2-(dimethylamino)-4-pyrimidinyl]methyl}-2-fluoro-N-methylbenzenesulfonamide

  • Molecular FormulaC14H16ClFN4O2S
  • Average mass358.819 Da
  • Monoisotopic mass358.066650 Da
  • ChemSpider ID30410975

More details:

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

3-Chlor-N-{[2-(dimethylamino)-4-pyrimidinyl]methyl}-2-fluor-N-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
3-Chloro-N-{[2-(dimethylamino)-4-pyrimidinyl]methyl}-2-fluoro-N-methylbenzenesulfonamide [ACD/IUPAC Name]
3-Chloro-N-{[2-(diméthylamino)-4-pyrimidinyl]méthyl}-2-fluoro-N-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 3-chloro-N-[[2-(dimethylamino)-4-pyrimidinyl]methyl]-2-fluoro-N-methyl- [ACD/Index Name]
3-CHLORO-N-{[2-(DIMETHYLAMINO)PYRIMIDIN-4-YL]METHYL}-2-FLUORO-N-METHYLBENZENE-1-SULFONAMIDE
3-CHLORO-N-{[2-(DIMETHYLAMINO)PYRIMIDIN-4-YL]METHYL}-2-FLUORO-N-METHYLBENZENESULFONAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 521.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 269.1±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 87.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 98.71
ACD/KOC (pH 5.5): 924.62
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.29
ACD/KOC (pH 7.4): 948.78
Polar Surface Area: 75 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 256.3±3.0 cm3

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