6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C24H16F7N5O2S — CID 90704952

About 6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 90704952) has the molecular formula C24H16F7N5O2S and a molecular weight of 571.48 g/mol. Its IUPAC name is 6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
• PubChem CID: 90704952
• Molecular Formula: C24H16F7N5O2S
• Molecular Weight: 571.48 g/mol
• Exact Mass: 571.09
• IUPAC Name: 6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
• SMILES: Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C24H16F7N5O2S/c1-12-7-20-16(8-18(12)25)17(9-32)22(36(20)21-6-3-14(10-34-21)24(29,30)31)19-5-4-15(11-33-19)39(37,38)35-13(2)23(26,27)28/h3-8,10-11,13,35H,1-2H3
• InChIKey: KOKNILPYTNIGBT-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 100.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.48
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

The IUPAC name of 6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 90704952) is 6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

What is the SMILES notation for 6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

The canonical SMILES for 6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1ccc(C(F)(F)F)cn1.

What is the InChIKey of 6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

The InChIKey is KOKNILPYTNIGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F7N5O2S/c1-12-7-20-16(8-18(12)25)17(9-32)22(36(20)21-6-3-14(10-34-21)24(29,30)31)19-5-4-15(11-33-19)39(37,38)35-13(2)23(26,27)28/h3-8,10-11,13,35H,1-2H3.

What are the key properties of 6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?

6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 571.48 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-cyano-5-fluoro-6-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 90704952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).