6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

C24H23F4N5O2S — CID 134308296

About 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134308296) has the molecular formula C24H23F4N5O2S and a molecular weight of 521.54 g/mol. Its IUPAC name is 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
• PubChem CID: 134308296
• Molecular Formula: C24H23F4N5O2S
• Molecular Weight: 521.54 g/mol
• Exact Mass: 521.15
• IUPAC Name: 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
• SMILES: Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(N3CC4CCC3CN4)n2)ccc1C(F)(F)F
• InChI: InChI=1S/C24H23F4N5O2S/c1-14-5-6-15(25)11-18(14)23-19(24(26,27)28)9-10-20(30-23)32-36(34,35)22-4-2-3-21(31-22)33-13-16-7-8-17(33)12-29-16/h2-6,9-11,16-17,29H,7-8,12-13H2,1H3,(H,30,32)
• InChIKey: ROAWOOSQTJXXME-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.54
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?

The IUPAC name of 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 134308296) is 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

What is the SMILES notation for 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?

The canonical SMILES for 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(N3CC4CCC3CN4)n2)ccc1C(F)(F)F.

What is the InChIKey of 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?

The InChIKey is ROAWOOSQTJXXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N5O2S/c1-14-5-6-15(25)11-18(14)23-19(24(26,27)28)9-10-20(30-23)32-36(34,35)22-4-2-3-21(31-22)33-13-16-7-8-17(33)12-29-16/h2-6,9-11,16-17,29H,7-8,12-13H2,1H3,(H,30,32).

What are the key properties of 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?

6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 521.54 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134308296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).