N-(2-fluoroethyl)-3-{[3-(oxolan-3-yl)propyl]sulfamoyl}benzamide

• ChemBase ID: 581139
• Molecular Formular: C16H23FN2O4S
• Molecular Mass: 358.4282232
• Monoisotopic Mass: 358.13625645
• SMILES: S(=O)(=O)(c1cc(C(=O)NCCF)ccc1)NCCCC1COCC1
• Canonical SMILES: FCCNC(=O)c1cccc(c1)S(=O)(=O)NCCCC1COCC1
• InChI: InChI=1S/C16H23FN2O4S/c17-7-9-18-16(20)14-4-1-5-15(11-14)24(21,22)19-8-2-3-13-6-10-23-12-13/h1,4-5,11,13,19H,2-3,6-10,12H2,(H,18,20)
• InChIKey: QDKOOKQAIMJUNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoroethyl)-3-{[3-(oxolan-3-yl)propyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-(2-fluoroethyl)-3-{[3-(oxolan-3-yl)propyl]sulfamoyl}benzamide
• Synonyms: N-(2-fluoroethyl)-3-({[3-(tetrahydrofuran-3-yl)propyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.884124
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.94459826
• LogD (pH = 7.4): 0.94335455
• Log P: 0.9446143
• Molar Refractivity: 89.5824 cm^3
• Polarizability: 34.77945 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.95
• LOG S: -2.62
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 8