N-cyclopropyl-4-{[2-(3-methylphenyl)ethyl]sulfamoyl}benzamide

• ChemBase ID: 766361
• Molecular Formular: C19H22N2O3S
• Molecular Mass: 358.45458
• Monoisotopic Mass: 358.13511357
• SMILES: S(=O)(=O)(c1ccc(C(=O)NC2CC2)cc1)NCCc1cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)CCNS(=O)(=O)c1ccc(cc1)C(=O)NC1CC1
• InChI: InChI=1S/C19H22N2O3S/c1-14-3-2-4-15(13-14)11-12-20-25(23,24)18-9-5-16(6-10-18)19(22)21-17-7-8-17/h2-6,9-10,13,17,20H,7-8,11-12H2,1H3,(H,21,22)
• InChIKey: APCGEGCPGONFJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.09
• LOG S: -4.45
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 6

JChem

• H Donor: 2
• LogD (pH = 5.5): 2.8693738
• LogD (pH = 7.4): 2.8681664
• Log P: 2.8693893
• Molar Refractivity: 98.7077 cm^3
• Polarizability: 38.271732 Å^3
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 9.897062
• H Acceptors: 3