ChemSpider 2D Image | [4-({4-[(Methylsulfonyl)methyl]-1-piperidinyl}sulfonyl)phenoxy]acetic acid | C15H21NO7S2

[4-({4-[(Methylsulfonyl)methyl]-1-piperidinyl}sulfonyl)phenoxy]acetic acid

  • Molecular FormulaC15H21NO7S2
  • Average mass391.460 Da
  • Monoisotopic mass391.075928 Da
  • ChemSpider ID68000875

More details:

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

[4-({4-[(Methylsulfonyl)methyl]-1-piperidinyl}sulfonyl)phenoxy]acetic acid [ACD/IUPAC Name]
[4-({4-[(Methylsulfonyl)methyl]-1-piperidinyl}sulfonyl)phenoxy]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-[[4-[(methylsulfonyl)methyl]-1-piperidinyl]sulfonyl]phenoxy]- [ACD/Index Name]
Acide [4-({4-[(méthylsulfonyl)méthyl]-1-pipéridinyl}sulfonyl)phénoxy]acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 646.3±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.7±32.3 °C
Index of Refraction: 1.569
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 278.5±3.0 cm3

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