6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C22H20ClF3N4O2S — CID 77181547

About 6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 77181547) has the molecular formula C22H20ClF3N4O2S and a molecular weight of 496.94 g/mol. Its IUPAC name is 6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
• PubChem CID: 77181547
• Molecular Formula: C22H20ClF3N4O2S
• Molecular Weight: 496.94 g/mol
• Exact Mass: 496.09
• IUPAC Name: 6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
• SMILES: CC(NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)ccc3n2C2CCCC2)nc1)C(F)(F)F
• InChI: InChI=1S/C22H20ClF3N4O2S/c1-13(22(24,25)26)29-33(31,32)16-7-8-19(28-12-16)21-18(11-27)17-10-14(23)6-9-20(17)30(21)15-4-2-3-5-15/h6-10,12-13,15,29H,2-5H2,1H3
• InChIKey: UBZYZFIDVJYCPR-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 87.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.94
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

The IUPAC name of 6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 77181547) is 6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

What is the SMILES notation for 6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

The canonical SMILES for 6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)ccc3n2C2CCCC2)nc1)C(F)(F)F.

What is the InChIKey of 6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

The InChIKey is UBZYZFIDVJYCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O2S/c1-13(22(24,25)26)29-33(31,32)16-7-8-19(28-12-16)21-18(11-27)17-10-14(23)6-9-20(17)30(21)15-4-2-3-5-15/h6-10,12-13,15,29H,2-5H2,1H3.

What are the key properties of 6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 496.94 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 77181547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).