2-[2-(4-fluorophenyl)morpholine-4-carbonyl]thiophene-3-sulfonamide

• ChemBase ID: 470365
• Molecular Formular: C15H15FN2O4S2
• Molecular Mass: 370.4190032
• Monoisotopic Mass: 370.04572719
• SMILES: c1(c(S(=O)(=O)N)ccs1)C(=O)N1CC(c2ccc(cc2)F)OCC1
• Canonical SMILES: Fc1ccc(cc1)C1OCCN(C1)C(=O)c1sccc1S(=O)(=O)N
• InChI: InChI=1S/C15H15FN2O4S2/c16-11-3-1-10(2-4-11)12-9-18(6-7-22-12)15(19)14-13(5-8-23-14)24(17,20)21/h1-5,8,12H,6-7,9H2,(H2,17,20,21)
• InChIKey: PMGNLUUWTLZGQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(4-fluorophenyl)morpholine-4-carbonyl]thiophene-3-sulfonamide
• IUPAC Traditional name: 2-[2-(4-fluorophenyl)morpholine-4-carbonyl]thiophene-3-sulfonamide
• Synonyms: 2-{[2-(4-fluorophenyl)morpholin-4-yl]carbonyl}thiophene-3-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.989612
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4984674
• LogD (pH = 7.4): 1.4888326
• Log P: 1.498592
• Molar Refractivity: 87.5513 cm^3
• Polarizability: 33.914745 Å^3
• Polar Surface Area: 89.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.43
• LOG S: -2.27
• Polar Surface Area: 89.7 Å^2
• Rotatable Bonds: 3