N-{3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl}cyclopropanecarboxamide

• ChemBase ID: 250914
• Molecular Formular: C18H20N2O4S
• Molecular Mass: 360.4274
• Monoisotopic Mass: 360.11437813
• SMILES: S(=O)(=O)(Nc1c(OC)cccc1)c1cc(NC(=O)C2CC2)ccc1C
• Canonical SMILES: COc1ccccc1NS(=O)(=O)c1cc(ccc1C)NC(=O)C1CC1
• InChI: InChI=1S/C18H20N2O4S/c1-12-7-10-14(19-18(21)13-8-9-13)11-17(12)25(22,23)20-15-5-3-4-6-16(15)24-2/h3-7,10-11,13,20H,8-9H2,1-2H3,(H,19,21)
• InChIKey: KQPRMGGMQVEKSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl}cyclopropanecarboxamide
• IUPAC Traditional name: N-{3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl}cyclopropanecarboxamide
• Synonyms: N-(3-{[(2-methoxyphenyl)amino]sulfonyl}-4-methylphenyl)cyclopropanecarboxamide

Database IDs

• MDL Number: MFCD08691074
• PubChem SID: 164306824
• PubChem CID: 7908202

CALCULATED PROPERTIES

• Acid pKa: 7.0415416
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.823284
• LogD (pH = 7.4): 2.418412
• Log P: 2.8341677
• Molar Refractivity: 96.6568 cm^3
• Polarizability: 37.32725 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.812

Product Information

• Purity: 95%