2-fluoro-N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]-5-sulfamoylbenzamide

• ChemBase ID: 683735
• Molecular Formular: C16H18FN3O4S
• Molecular Mass: 367.3952232
• Monoisotopic Mass: 367.10020529
• SMILES: S(=O)(=O)(c1cc(C(=O)NCCCn2c(=O)cccc2C)c(cc1)F)N
• Canonical SMILES: O=C(c1cc(ccc1F)S(=O)(=O)N)NCCCn1c(C)cccc1=O
• InChI: InChI=1S/C16H18FN3O4S/c1-11-4-2-5-15(21)20(11)9-3-8-19-16(22)13-10-12(25(18,23)24)6-7-14(13)17/h2,4-7,10H,3,8-9H2,1H3,(H,19,22)(H2,18,23,24)
• InChIKey: URKOMFVHEGARMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]-5-sulfamoylbenzamide
• IUPAC Traditional name: 2-fluoro-N-[3-(2-methyl-6-oxopyridin-1-yl)propyl]-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-2-fluoro-N-[3-(6-methyl-2-oxo-1(2H)-pyridinyl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.551665
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.12730616
• LogD (pH = 7.4): 0.124637425
• Log P: 0.12734036
• Molar Refractivity: 94.0649 cm^3
• Polarizability: 34.80919 Å^3
• Polar Surface Area: 109.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.2
• LOG S: -3.36
• Polar Surface Area: 111.26 Å^2
• Rotatable Bonds: 6