N-cyclopropyl-2-fluoro-N-[(2E)-3-phenylprop-2-en-1-yl]-5-sulfamoylbenzamide

• ChemBase ID: 644659
• Molecular Formular: C19H19FN2O3S
• Molecular Mass: 374.4291632
• Monoisotopic Mass: 374.1100417
• SMILES: S(=O)(=O)(c1cc(C(=O)N(C2CC2)C/C=C/c2ccccc2)c(cc1)F)N
• Canonical SMILES: Fc1ccc(cc1C(=O)N(C1CC1)C/C=C/c1ccccc1)S(=O)(=O)N
• InChI: InChI=1S/C19H19FN2O3S/c20-18-11-10-16(26(21,24)25)13-17(18)19(23)22(15-8-9-15)12-4-7-14-5-2-1-3-6-14/h1-7,10-11,13,15H,8-9,12H2,(H2,21,24,25)/b7-4+
• InChIKey: INWIZVUEYGSBFV-QPJJXVBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-fluoro-N-[(2E)-3-phenylprop-2-en-1-yl]-5-sulfamoylbenzamide
• IUPAC Traditional name: N-cyclopropyl-2-fluoro-N-[(2E)-3-phenylprop-2-en-1-yl]-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-N-cyclopropyl-2-fluoro-N-[(2E)-3-phenyl-2-propen-1-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.549009
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8198898
• LogD (pH = 7.4): 2.817205
• Log P: 2.8199244
• Molar Refractivity: 99.4465 cm^3
• Polarizability: 37.869587 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.58
• LOG S: -3.28
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 6