N-(5-methoxy-2-phenoxyphenyl)methanesulfonamide

• ChemBase ID: 290197
• Molecular Formular: C14H15NO4S
• Molecular Mass: 293.3382
• Monoisotopic Mass: 293.07217897
• SMILES: CS(=O)(=O)Nc1cc(OC)ccc1Oc1ccccc1
• Canonical SMILES: COc1ccc(c(c1)NS(=O)(=O)C)Oc1ccccc1
• InChI: InChI=1S/C14H15NO4S/c1-18-12-8-9-14(13(10-12)15-20(2,16)17)19-11-6-4-3-5-7-11/h3-10,15H,1-2H3
• InChIKey: HKQJXMJGWKDFTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-methoxy-2-phenoxyphenyl)methanesulfonamide
• IUPAC Traditional name: N-(5-methoxy-2-phenoxyphenyl)methanesulfonamide
• Synonyms: N-(5-Methoxy-2-phenoxyphenyl)methanesulfonamide

Database IDs

• CAS Number: 123664-84-6
• PubChem SID: 180675728
• PubChem CID: 10803650

CALCULATED PROPERTIES

• Acid pKa: 7.178308
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6810236
• LogD (pH = 7.4): 1.3386761
• Log P: 1.689001
• Molar Refractivity: 75.4452 cm^3
• Polarizability: 30.333193 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%