ChemSpider 2D Image | N-{[4-(Benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide | C21H21NO3S2

N-{[4-(Benzyloxy)phenyl](methyl)-λ4-sulfanylidene}-4-methylbenzenesulfonamide

  • Molecular FormulaC21H21NO3S2
  • Average mass399.526 Da
  • Monoisotopic mass399.096283 Da
  • ChemSpider ID26325489

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenesulfonamide, 4-methyl-N-[(1E)-methyl[4-(phenylmethoxy)phenyl]sulfanylidene]- [ACD/Index Name]
N-[(E)-[4-(Benzyloxy)phenyl](methyl)-λ4-sulfanyliden]-4-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
N-[(E)-[4-(Benzyloxy)phenyl](methyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-[(E)-[4-(Benzyloxy)phényl](méthyl)-λ4-sulfanylidène]-4-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-{[4-(Benzyloxy)phenyl](methyl)-λ4-sulfanylidene}-4-methylbenzenesulfonamide [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 587.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 309.1±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 113.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 521.51
ACD/KOC (pH 5.5): 3066.33
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 521.51
ACD/KOC (pH 7.4): 3066.33
Polar Surface Area: 83 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 326.6±7.0 cm3

Click to predict properties on the Chemicalize site


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