N-[1-(3-methylphenyl)piperidin-4-yl]-4-sulfamoylbenzamide

• ChemBase ID: 737517
• Molecular Formular: C19H23N3O3S
• Molecular Mass: 373.46922
• Monoisotopic Mass: 373.14601261
• SMILES: S(=O)(=O)(c1ccc(C(=O)NC2CCN(c3cc(ccc3)C)CC2)cc1)N
• Canonical SMILES: Cc1cccc(c1)N1CCC(CC1)NC(=O)c1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C19H23N3O3S/c1-14-3-2-4-17(13-14)22-11-9-16(10-12-22)21-19(23)15-5-7-18(8-6-15)26(20,24)25/h2-8,13,16H,9-12H2,1H3,(H,21,23)(H2,20,24,25)
• InChIKey: KBGSLCHLHXZCNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-methylphenyl)piperidin-4-yl]-4-sulfamoylbenzamide
• IUPAC Traditional name: N-[1-(3-methylphenyl)piperidin-4-yl]-4-sulfamoylbenzamide
• Synonyms: 4-(aminosulfonyl)-N-[1-(3-methylphenyl)piperidin-4-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.949955
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7993215
• LogD (pH = 7.4): 2.0787992
• Log P: 2.0849407
• Molar Refractivity: 103.1818 cm^3
• Polarizability: 39.42124 Å^3
• Polar Surface Area: 92.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.97
• LOG S: -3.6
• Polar Surface Area: 92.5 Å^2
• Rotatable Bonds: 4