3-fluoro-4-[3-(2-methoxyphenoxy)propyl]benzene-1-sulfonamide

• ChemBase ID: 697363
• Molecular Formular: C16H18FNO4S
• Molecular Mass: 339.3818232
• Monoisotopic Mass: 339.09405728
• SMILES: S(=O)(=O)(c1cc(c(cc1)CCCOc1c(OC)cccc1)F)N
• Canonical SMILES: COc1ccccc1OCCCc1ccc(cc1F)S(=O)(=O)N
• InChI: InChI=1S/C16H18FNO4S/c1-21-15-6-2-3-7-16(15)22-10-4-5-12-8-9-13(11-14(12)17)23(18,19)20/h2-3,6-9,11H,4-5,10H2,1H3,(H2,18,19,20)
• InChIKey: MPMUXUPMYZYFFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-4-[3-(2-methoxyphenoxy)propyl]benzene-1-sulfonamide
• IUPAC Traditional name: 3-fluoro-4-[3-(2-methoxyphenoxy)propyl]benzenesulfonamide
• Synonyms: 3-fluoro-4-[3-(2-methoxyphenoxy)propyl]benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.64481
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8643115
• LogD (pH = 7.4): 2.8621562
• Log P: 2.8643389
• Molar Refractivity: 85.3273 cm^3
• Polarizability: 33.55917 Å^3
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.05
• LOG S: -4.28
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 7