methyl 2-(N-benzylmethanesulfonamido)acetate

• ChemBase ID: 123927
• Molecular Formular: C11H15NO4S
• Molecular Mass: 257.3061
• Monoisotopic Mass: 257.07217897
• SMILES: S(=O)(=O)(N(CC(=O)OC)Cc1ccccc1)C
• Canonical SMILES: COC(=O)CN(S(=O)(=O)C)Cc1ccccc1
• InChI: InChI=1S/C11H15NO4S/c1-16-11(13)9-12(17(2,14)15)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
• InChIKey: XXVQIVWOROBARJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(N-benzylmethanesulfonamido)acetate
• IUPAC Traditional name: methyl 2-(N-benzylmethanesulfonamido)acetate
• Synonyms: methyl 2-(N-benzylmethylsulfonamido)acetate

Database IDs

• PubChem SID: 162218280
• PubChem CID: 49651929

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2604531
• LogD (pH = 7.4): 0.2604531
• Log P: 0.2604531
• Molar Refractivity: 63.3266 cm^3
• Polarizability: 25.660149 Å^3
• Polar Surface Area: 63.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true