N-cyclopropyl-3-{[1-(3,5-difluorophenyl)ethyl]sulfamoyl}benzamide

• ChemBase ID: 595506
• Molecular Formular: C18H18F2N2O3S
• Molecular Mass: 380.4089264
• Monoisotopic Mass: 380.10061989
• SMILES: S(=O)(=O)(NC(c1cc(cc(c1)F)F)C)c1cc(C(=O)NC2CC2)ccc1
• Canonical SMILES: Fc1cc(cc(c1)F)C(NS(=O)(=O)c1cccc(c1)C(=O)NC1CC1)C
• InChI: InChI=1S/C18H18F2N2O3S/c1-11(13-7-14(19)10-15(20)8-13)22-26(24,25)17-4-2-3-12(9-17)18(23)21-16-5-6-16/h2-4,7-11,16,22H,5-6H2,1H3,(H,21,23)
• InChIKey: BRRHTOBRFYCOOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{[1-(3,5-difluorophenyl)ethyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-cyclopropyl-3-{[1-(3,5-difluorophenyl)ethyl]sulfamoyl}benzamide
• Synonyms: N-cyclopropyl-3-({[1-(3,5-difluorophenyl)ethyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.859973
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7692688
• LogD (pH = 7.4): 2.7679539
• Log P: 2.7692857
• Molar Refractivity: 93.7631 cm^3
• Polarizability: 35.95601 Å^3
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.65
• LOG S: -4.24
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 5