4-ethoxy-N-(4-hydroxyphenyl)-N-methylbenzene-1-sulfonamide

• ChemBase ID: 246544
• Molecular Formular: C15H17NO4S
• Molecular Mass: 307.36478
• Monoisotopic Mass: 307.08782903
• SMILES: S(=O)(=O)(N(c1ccc(cc1)O)C)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)O)C
• InChI: InChI=1S/C15H17NO4S/c1-3-20-14-8-10-15(11-9-14)21(18,19)16(2)12-4-6-13(17)7-5-12/h4-11,17H,3H2,1-2H3
• InChIKey: LHVXLGIQVSNZMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-N-(4-hydroxyphenyl)-N-methylbenzene-1-sulfonamide
• IUPAC Traditional name: 4-ethoxy-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
• Synonyms: 4-ethoxy-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide

Database IDs

• MDL Number: MFCD06385040
• PubChem SID: 164302454
• PubChem CID: 2608780

CALCULATED PROPERTIES

• Acid pKa: 9.50104
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5801156
• LogD (pH = 7.4): 2.5767493
• Log P: 2.5801585
• Molar Refractivity: 80.9796 cm^3
• Polarizability: 32.00311 Å^3
• Polar Surface Area: 66.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 132°C
• Hydrophobicity(logP): 2.827

Product Information

• Purity: 95%