ChemSpider 2D Image | Methyl 4-{[N-(pyridin-3-ylmethyl)4-methoxybenzenesulfonamido]methyl}benzoate | C22H22N2O5S

Methyl 4-{[N-(pyridin-3-ylmethyl)4-methoxybenzenesulfonamido]methyl}benzoate

  • Molecular FormulaC22H22N2O5S
  • Average mass426.486 Da
  • Monoisotopic mass426.124939 Da
  • ChemSpider ID21763717

More details:

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

1000931-00-9 [RN]
4-({[(4-Méthoxyphényl)sulfonyl](3-pyridinylméthyl)amino}méthyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-({[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino}methyl)benzoate [ACD/IUPAC Name]
Methyl 4-{[N-(pyridin-3-ylmethyl)4-methoxybenzenesulfonamido]methyl}benzoate
Methyl-4-({[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino}methyl)benzoat [German] [ACD/IUPAC Name]
4-([(4-METHOXY-BENZENESULFONYL)-PYRIDIN-3-YLMETHYL-AMINO]-METHYL)-BENZOIC ACID METHYL ESTER
4-{[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-methyl}-benzoic acid methyl ester
methyl 4-((4-methoxy-N-(pyridin-3-ylmethyl)phenylsulfonamido)methyl)benzoate
methyl 4-({N-[(pyridin-3-yl)methyl]4-methoxybenzenesulfonamido}methyl)benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 615.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 325.8±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 113.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 321.31
ACD/KOC (pH 5.5): 2091.36
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 364.09
ACD/KOC (pH 7.4): 2369.76
Polar Surface Area: 94 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 331.5±3.0 cm3

Click to predict properties on the Chemicalize site


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