N-(2-fluoroethyl)-3-[(3-methoxypropyl)(methyl)sulfamoyl]benzamide

• ChemBase ID: 446322
• Molecular Formular: C14H21FN2O4S
• Molecular Mass: 332.3909432
• Monoisotopic Mass: 332.12060638
• SMILES: S(=O)(=O)(c1cc(C(=O)NCCF)ccc1)N(CCCOC)C
• Canonical SMILES: COCCCN(S(=O)(=O)c1cccc(c1)C(=O)NCCF)C
• InChI: InChI=1S/C14H21FN2O4S/c1-17(9-4-10-21-2)22(19,20)13-6-3-5-12(11-13)14(18)16-8-7-15/h3,5-6,11H,4,7-10H2,1-2H3,(H,16,18)
• InChIKey: XZBVBLYORADXOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoroethyl)-3-[(3-methoxypropyl)(methyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-(2-fluoroethyl)-3-[(3-methoxypropyl)(methyl)sulfamoyl]benzamide
• Synonyms: N-(2-fluoroethyl)-3-{[(3-methoxypropyl)(methyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.976592
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.31491897
• LogD (pH = 7.4): 0.31491897
• Log P: 0.31491908
• Molar Refractivity: 82.4935 cm^3
• Polarizability: 31.839325 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.1
• LOG S: -2.56
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 8