N-cyclopropyl-4-{methyl[2-(pyridin-2-yl)ethyl]sulfamoyl}benzamide

• ChemBase ID: 700801
• Molecular Formular: C18H21N3O3S
• Molecular Mass: 359.44264
• Monoisotopic Mass: 359.13036255
• SMILES: S(=O)(=O)(N(CCc1ncccc1)C)c1ccc(C(=O)NC2CC2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)N(CCc1ccccn1)C)NC1CC1
• InChI: InChI=1S/C18H21N3O3S/c1-21(13-11-15-4-2-3-12-19-15)25(23,24)17-9-5-14(6-10-17)18(22)20-16-7-8-16/h2-6,9-10,12,16H,7-8,11,13H2,1H3,(H,20,22)
• InChIKey: UKOWZXRTQWTKGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-{methyl[2-(pyridin-2-yl)ethyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-cyclopropyl-4-{methyl[2-(pyridin-2-yl)ethyl]sulfamoyl}benzamide
• Synonyms: N-cyclopropyl-4-({methyl[2-(2-pyridinyl)ethyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.090247
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3479066
• LogD (pH = 7.4): 1.3912116
• Log P: 1.3917949
• Molar Refractivity: 95.8285 cm^3
• Polarizability: 37.46465 Å^3
• Polar Surface Area: 79.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.58
• LOG S: -1.87
• Polar Surface Area: 79.37 Å^2
• Rotatable Bonds: 6