3-(4-methanesulfonylphenyl)-4-methoxybenzamide

• ChemBase ID: 761532
• Molecular Formular: C15H15NO4S
• Molecular Mass: 305.3489
• Monoisotopic Mass: 305.07217897
• SMILES: S(=O)(=O)(c1ccc(c2cc(C(=O)N)ccc2OC)cc1)C
• Canonical SMILES: COc1ccc(cc1c1ccc(cc1)S(=O)(=O)C)C(=O)N
• InChI: InChI=1S/C15H15NO4S/c1-20-14-8-5-11(15(16)17)9-13(14)10-3-6-12(7-4-10)21(2,18)19/h3-9H,1-2H3,(H2,16,17)
• InChIKey: LAGOLGDZEZJPQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methanesulfonylphenyl)-4-methoxybenzamide
• IUPAC Traditional name: 3-(4-methanesulfonylphenyl)-4-methoxybenzamide
• Synonyms: 6-methoxy-4'-(methylsulfonyl)biphenyl-3-carboxamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.802901
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1537479
• LogD (pH = 7.4): 1.1537488
• Log P: 1.1537488
• Molar Refractivity: 80.7394 cm^3
• Polarizability: 32.60142 Å^3
• Polar Surface Area: 86.46 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 1
• Log P: 0.49
• LOG S: -1.84
• Polar Surface Area: 86.46 Å^2