6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C23H16F5N5O3S — CID 77181388

About 6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 77181388) has the molecular formula C23H16F5N5O3S and a molecular weight of 537.47 g/mol. Its IUPAC name is 6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
• PubChem CID: 77181388
• Molecular Formula: C23H16F5N5O3S
• Molecular Weight: 537.47 g/mol
• Exact Mass: 537.09
• IUPAC Name: 6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
• SMILES: CC(NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2-c2ccccn2)nc1)C(F)(F)F
• InChI: InChI=1S/C23H16F5N5O3S/c1-13(23(26,27)28)32-37(34,35)15-6-8-18(31-12-15)21-17(11-29)16-7-5-14(36-22(24)25)10-19(16)33(21)20-4-2-3-9-30-20/h2-10,12-13,22,32H,1H3
• InChIKey: XKGSPGYSLSRLIB-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 109.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.47
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

The IUPAC name of 6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 77181388) is 6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

What is the SMILES notation for 6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

The canonical SMILES for 6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2-c2ccccn2)nc1)C(F)(F)F.

What is the InChIKey of 6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

The InChIKey is XKGSPGYSLSRLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N5O3S/c1-13(23(26,27)28)32-37(34,35)15-6-8-18(31-12-15)21-17(11-29)16-7-5-14(36-22(24)25)10-19(16)33(21)20-4-2-3-9-30-20/h2-10,12-13,22,32H,1H3.

What are the key properties of 6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 537.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-cyano-6-(difluoromethoxy)-1-pyridin-2-ylindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 77181388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).