6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C23H22F4N4O2S — CID 66733523

About 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66733523) has the molecular formula C23H22F4N4O2S and a molecular weight of 494.51 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 66733523
• Molecular Formula: C23H22F4N4O2S
• Molecular Weight: 494.51 g/mol
• Exact Mass: 494.14
• IUPAC Name: 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(F)cc3n2C2CCCCC2)nc1)C(F)(F)F
• InChI: InChI=1S/C23H22F4N4O2S/c1-14(23(25,26)27)30-34(32,33)17-8-10-20(29-13-17)22-19(12-28)18-9-7-15(24)11-21(18)31(22)16-5-3-2-4-6-16/h7-11,13-14,16,30H,2-6H2,1H3/t14-/m0/s1
• InChIKey: JORFRRKGXMXIPI-AWEZNQCLSA-N
• XLogP: 5.45
• TPSA: 87.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.51
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The IUPAC name of 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66733523) is 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(F)cc3n2C2CCCCC2)nc1)C(F)(F)F.

What is the InChIKey of 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is JORFRRKGXMXIPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H22F4N4O2S/c1-14(23(25,26)27)30-34(32,33)17-8-10-20(29-13-17)22-19(12-28)18-9-7-15(24)11-21(18)31(22)16-5-3-2-4-6-16/h7-11,13-14,16,30H,2-6H2,1H3/t14-/m0/s1.

What are the key properties of 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 494.51 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66733523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).