ChemSpider 2D Image | 4-Methyl-N-(3-octyn-1-yl)-N-(phenylethynyl)benzenesulfonamide | C23H25NO2S

4-Methyl-N-(3-octyn-1-yl)-N-(phenylethynyl)benzenesulfonamide

  • Molecular FormulaC23H25NO2S
  • Average mass379.515 Da
  • Monoisotopic mass379.160614 Da
  • ChemSpider ID29272422

More details:






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

4-Methyl-N-(3-octin-1-yl)-N-(phenylethinyl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-Methyl-N-(3-octyn-1-yl)-N-(phenylethynyl)benzenesulfonamide [ACD/IUPAC Name]
4-Méthyl-N-(3-octyn-1-yl)-N-(phényléthynyl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-methyl-N-3-octyn-1-yl-N-(2-phenylethynyl)- [ACD/Index Name]
4-Methyl-N-(oct-3-yn-1-yl)-N-(phenylethynyl)benzenesulfonamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 523.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.3±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26296.62
ACD/KOC (pH 5.5): 50739.88
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26296.62
ACD/KOC (pH 7.4): 50739.88
Polar Surface Area: 46 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 321.6±5.0 cm3

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