1-(4-aminophenyl)-N-(4-methoxyphenyl)methanesulfonamide

• ChemBase ID: 258953
• Molecular Formular: C14H16N2O3S
• Molecular Mass: 292.35344
• Monoisotopic Mass: 292.08816338
• SMILES: S(=O)(=O)(Nc1ccc(cc1)OC)Cc1ccc(N)cc1
• Canonical SMILES: COc1ccc(cc1)NS(=O)(=O)Cc1ccc(cc1)N
• InChI: InChI=1S/C14H16N2O3S/c1-19-14-8-6-13(7-9-14)16-20(17,18)10-11-2-4-12(15)5-3-11/h2-9,16H,10,15H2,1H3
• InChIKey: AVAADMXSZRMYBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminophenyl)-N-(4-methoxyphenyl)methanesulfonamide
• IUPAC Traditional name: 1-(4-aminophenyl)-N-(4-methoxyphenyl)methanesulfonamide
• Synonyms: 1-(4-aminophenyl)-N-(4-methoxyphenyl)methanesulfonamide

Database IDs

• MDL Number: MFCD11833084
• PubChem SID: 164314863
• PubChem CID: 30054668

CALCULATED PROPERTIES

• Acid pKa: 10.826756
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2210246
• LogD (pH = 7.4): 1.2361085
• Log P: 1.2364501
• Molar Refractivity: 78.6412 cm^3
• Polarizability: 30.728191 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153 - 155°C
• Hydrophobicity(logP): 1.45

Product Information

• Purity: 95%