N-[(4-methoxyphenyl)methyl]-N-methylmethanesulfonamide

• ChemBase ID: 245694
• Molecular Formular: C10H15NO3S
• Molecular Mass: 229.296
• Monoisotopic Mass: 229.07726435
• SMILES: S(=O)(=O)(N(Cc1ccc(cc1)OC)C)C
• Canonical SMILES: COc1ccc(cc1)CN(S(=O)(=O)C)C
• InChI: InChI=1S/C10H15NO3S/c1-11(15(3,12)13)8-9-4-6-10(14-2)7-5-9/h4-7H,8H2,1-3H3
• InChIKey: WGQLJNNCVCEPNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
• IUPAC Traditional name: N-[(4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
• Synonyms: N-[(4-methoxyphenyl)methyl]-N-methylmethanesulfonamide

Database IDs

• MDL Number: MFCD08069352
• PubChem SID: 164301604
• PubChem CID: 6460303

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.47890446
• LogD (pH = 7.4): 0.47890446
• Log P: 0.47890446
• Molar Refractivity: 58.9361 cm^3
• Polarizability: 23.696373 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.795

Product Information

• Purity: 95%