ChemSpider 2D Image | 4-Methyl-N-(4-phenyl-3-butyn-1-yl)-N-(phenylethynyl)benzenesulfonamide | C25H21NO2S

4-Methyl-N-(4-phenyl-3-butyn-1-yl)-N-(phenylethynyl)benzenesulfonamide

  • Molecular FormulaC25H21NO2S
  • Average mass399.505 Da
  • Monoisotopic mass399.129303 Da
  • ChemSpider ID29272414

More details:

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

4-Methyl-N-(4-phenyl-3-butin-1-yl)-N-(phenylethinyl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-Methyl-N-(4-phenyl-3-butyn-1-yl)-N-(phenylethynyl)benzenesulfonamide [ACD/IUPAC Name]
4-Méthyl-N-(4-phényl-3-butyn-1-yl)-N-(phényléthynyl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-methyl-N-(4-phenyl-3-butyn-1-yl)-N-(2-phenylethynyl)- [ACD/Index Name]
4-Methyl-N-(4-phenylbut-3-yn-1-yl)-N-(phenylethynyl)benzenesulfonamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 569.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.4±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 117.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 41889.86
ACD/KOC (pH 5.5): 70809.02
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 41889.86
ACD/KOC (pH 7.4): 70809.02
Polar Surface Area: 46 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 315.7±5.0 cm3

Click to predict properties on the Chemicalize site


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