ChemSpider 2D Image | 2-(2-methanesulfonamidophenyl)acetic acid | C9H11NO4S

2-(2-methanesulfonamidophenyl)acetic acid

  • Molecular FormulaC9H11NO4S
  • Average mass229.253 Da
  • Monoisotopic mass229.040878 Da
  • ChemSpider ID13577054

More details:

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

{2-[(Methylsulfonyl)amino]phenyl}acetic acid [ACD/IUPAC Name]
{2-[(Methylsulfonyl)amino]phenyl}essigsäure [German] [ACD/IUPAC Name]
1047724-24-2 [RN]
2-(2-methanesulfonamidophenyl)acetic acid
2-[(Methylsulfonyl)amino]benzeneacetic acid
Acide {2-[(méthylsulfonyl)amino]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-[(methylsulfonyl)amino]- [ACD/Index Name]
MFCD11052342 [MDL number]
(2-METHANESULFONAMIDOPHENYL)ACETIC ACID
[1047724-24-2] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 421.7±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.2±3.0 kJ/mol
    Flash Point: 208.8±29.3 °C
    Index of Refraction: 1.613
    Molar Refractivity: 54.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.24
    ACD/LogD (pH 5.5): -0.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.47
    ACD/LogD (pH 7.4): -2.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 21.7±0.5 10-24cm3
    Surface Tension: 65.5±3.0 dyne/cm
    Molar Volume: 157.4±3.0 cm3

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