4-fluoro-3-(2-phenylmorpholine-4-carbonyl)benzene-1-sulfonamide

• ChemBase ID: 570013
• Molecular Formular: C17H17FN2O4S
• Molecular Mass: 364.3912832
• Monoisotopic Mass: 364.08930625
• SMILES: S(=O)(=O)(c1cc(C(=O)N2CC(OCC2)c2ccccc2)c(cc1)F)N
• Canonical SMILES: Fc1ccc(cc1C(=O)N1CCOC(C1)c1ccccc1)S(=O)(=O)N
• InChI: InChI=1S/C17H17FN2O4S/c18-15-7-6-13(25(19,22)23)10-14(15)17(21)20-8-9-24-16(11-20)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2,(H2,19,22,23)
• InChIKey: XEDFZLFTDVKXPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-(2-phenylmorpholine-4-carbonyl)benzene-1-sulfonamide
• IUPAC Traditional name: 4-fluoro-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
• Synonyms: 4-fluoro-3-[(2-phenyl-4-morpholinyl)carbonyl]benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.54936
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5856763
• LogD (pH = 7.4): 1.5829934
• Log P: 1.5857106
• Molar Refractivity: 90.6614 cm^3
• Polarizability: 35.113327 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: 0.35
• LOG S: -3.47
• Polar Surface Area: 89.7 Å^2
• Rotatable Bonds: 3