4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzene-1-sulfonamide

• ChemBase ID: 715334
• Molecular Formular: C15H16FN3O3S2
• Molecular Mass: 369.4342432
• Monoisotopic Mass: 369.06171161
• SMILES: C(=O)(N1C(c2nccs2)CCCC1)c1cc(S(=O)(=O)N)ccc1F
• Canonical SMILES: Fc1ccc(cc1C(=O)N1CCCCC1c1nccs1)S(=O)(=O)N
• InChI: InChI=1S/C15H16FN3O3S2/c16-12-5-4-10(24(17,21)22)9-11(12)15(20)19-7-2-1-3-13(19)14-18-6-8-23-14/h4-6,8-9,13H,1-3,7H2,(H2,17,21,22)
• InChIKey: SQFIBZMVJZWFGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzene-1-sulfonamide
• IUPAC Traditional name: 4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
• Synonyms: 4-fluoro-3-{[2-(1,3-thiazol-2-yl)-1-piperidinyl]carbonyl}benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.548813
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5385264
• LogD (pH = 7.4): 1.536003
• Log P: 1.5387257
• Molar Refractivity: 88.3394 cm^3
• Polarizability: 34.133545 Å^3
• Polar Surface Area: 93.36 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: 0.29
• LOG S: -3.45
• Polar Surface Area: 93.36 Å^2
• Rotatable Bonds: 3