N-(2,2-diethoxyethyl)-4-methyl-N-(4-methylphenyl)benzene-1-sulfonamide

• ChemBase ID: 84630
• Molecular Formular: C20H27NO4S
• Molecular Mass: 377.49768
• Monoisotopic Mass: 377.16607935
• SMILES: S(=O)(=O)(c1ccc(cc1)C)N(c1ccc(cc1)C)CC(OCC)OCC
• Canonical SMILES: CCOC(CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C)OCC
• InChI: InChI=1S/C20H27NO4S/c1-5-24-20(25-6-2)15-21(18-11-7-16(3)8-12-18)26(22,23)19-13-9-17(4)10-14-19/h7-14,20H,5-6,15H2,1-4H3
• InChIKey: LZPHNYBBVZMAQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-diethoxyethyl)-4-methyl-N-(4-methylphenyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-(2,2-diethoxyethyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
• Synonyms: N1-(2,2-diethoxyethyl)-N1-(4-methylphenyl)-4-methylbenzene-1-sulphonamide

Database IDs

• MDL Number: MFCD00277909
• PubChem SID: 162071746
• PubChem CID: 2782305

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.656973
• LogD (pH = 7.4): 4.656973
• Log P: 4.656973
• Molar Refractivity: 104.1911 cm^3
• Polarizability: 41.148182 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true