ChemSpider 2D Image | 4-Methyl-N-[2-(1-pentyn-1-yl)phenyl]-N-(phenylethynyl)benzenesulfonamide | C26H23NO2S

4-Methyl-N-[2-(1-pentyn-1-yl)phenyl]-N-(phenylethynyl)benzenesulfonamide

  • Molecular FormulaC26H23NO2S
  • Average mass413.531 Da
  • Monoisotopic mass413.144958 Da
  • ChemSpider ID29272427

More details:






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

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 570.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 298.9±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 121.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.23
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79225.45
ACD/KOC (pH 5.5): 111734.49
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 79225.45
ACD/KOC (pH 7.4): 111734.49
Polar Surface Area: 46 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 331.4±5.0 cm3

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