ChemSpider 2D Image | Methyl 2-({[5-(1,1-dioxido-1,2-thiazinan-2-yl)-2-methoxyphenyl]sulfonyl}amino)benzoate | C19H22N2O7S2

Methyl 2-({[5-(1,1-dioxido-1,2-thiazinan-2-yl)-2-methoxyphenyl]sulfonyl}amino)benzoate

  • Molecular FormulaC19H22N2O7S2
  • Average mass454.517 Da
  • Monoisotopic mass454.086853 Da
  • ChemSpider ID21624789

More details:

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

2-({[5-(1,1-Dioxydo-1,2-thiazinan-2-yl)-2-méthoxyphényl]sulfonyl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[2-methoxy-5-(tetrahydro-1,1-dioxido-2H-1,2-thiazin-2-yl)phenyl]sulfonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-({[5-(1,1-dioxido-1,2-thiazinan-2-yl)-2-methoxyphenyl]sulfonyl}amino)benzoate [ACD/IUPAC Name]
Methyl-2-({[5-(1,1-dioxido-1,2-thiazinan-2-yl)-2-methoxyphenyl]sulfonyl}amino)benzoat [German] [ACD/IUPAC Name]
920115-83-9 [RN]
methyl 2-[[5-(1,1-dioxothiazinan-2-yl)-2-methoxyphenyl]sulfonylamino]benzoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 653.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.3±3.0 kJ/mol
    Flash Point: 349.3±34.3 °C
    Index of Refraction: 1.609
    Molar Refractivity: 110.6±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.83
    ACD/LogD (pH 5.5): 2.45
    ACD/BCF (pH 5.5): 42.41
    ACD/KOC (pH 5.5): 506.42
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 18.52
    ACD/KOC (pH 7.4): 221.17
    Polar Surface Area: 136 Å2
    Polarizability: 43.8±0.5 10-24cm3
    Surface Tension: 58.5±3.0 dyne/cm
    Molar Volume: 319.3±3.0 cm3

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