2-[N-(5-chloro-2-methylphenyl)methanesulfonamido]-N-(2,6-difluorophenyl)acetamide

• ChemBase ID: 313191
• Molecular Formular: C16H15ClF2N2O3S
• Molecular Mass: 388.8167064
• Monoisotopic Mass: 388.04599747
• SMILES: c1c(c(cc(c1)Cl)N(CC(=O)Nc1c(cccc1F)F)S(=O)(=O)C)C
• Canonical SMILES: O=C(CN(S(=O)(=O)C)c1cc(Cl)ccc1C)Nc1c(F)cccc1F
• InChI: InChI=1S/C16H15ClF2N2O3S/c1-10-6-7-11(17)8-14(10)21(25(2,23)24)9-15(22)20-16-12(18)4-3-5-13(16)19/h3-8H,9H2,1-2H3,(H,20,22)
• InChIKey: WAOBCCBUTHNTFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[N-(5-chloro-2-methylphenyl)methanesulfonamido]-N-(2,6-difluorophenyl)acetamide
• IUPAC Traditional name: 2-[N-(5-chloro-2-methylphenyl)methanesulfonamido]-N-(2,6-difluorophenyl)acetamide
• Synonyms: FPH1 (BRD-6125)

Database IDs

• CAS Number: 708219-39-0

CALCULATED PROPERTIES

• Acid pKa: 10.23099
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8852084
• LogD (pH = 7.4): 2.8846
• Log P: 2.8852162
• Molar Refractivity: 92.2786 cm^3
• Polarizability: 35.120594 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Free Base