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

C23H15F6N5O2S — CID 91356065

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

6-[3-cyano-1-pyridin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 91356065) has the molecular formula C23H15F6N5O2S and a molecular weight of 539.46 g/mol. Its IUPAC name is 6-[3-cyano-1-pyridin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-[3-cyano-1-pyridin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
• PubChem CID: 91356065
• Molecular Formula: C23H15F6N5O2S
• Molecular Weight: 539.46 g/mol
• Exact Mass: 539.09
• IUPAC Name: 6-[3-cyano-1-pyridin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
• SMILES: CC(NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2-c2ccccn2)nc1)C(F)(F)F
• InChI: InChI=1S/C23H15F6N5O2S/c1-13(22(24,25)26)33-37(35,36)15-6-8-18(32-12-15)21-17(11-30)16-7-5-14(23(27,28)29)10-19(16)34(21)20-4-2-3-9-31-20/h2-10,12-13,33H,1H3
• InChIKey: WYCNUCLKXHUCGX-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 100.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.46
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[3-cyano-1-pyridin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 91356065) is 6-[3-cyano-1-pyridin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

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

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

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

The InChIKey is WYCNUCLKXHUCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N5O2S/c1-13(22(24,25)26)33-37(35,36)15-6-8-18(32-12-15)21-17(11-30)16-7-5-14(23(27,28)29)10-19(16)34(21)20-4-2-3-9-31-20/h2-10,12-13,33H,1H3.

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

6-[3-cyano-1-pyridin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 539.46 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-cyano-1-pyridin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 91356065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).