6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C21H18F4N4O2S — CID 77181560

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

6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 77181560) has the molecular formula C21H18F4N4O2S and a molecular weight of 466.46 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
• PubChem CID: 77181560
• Molecular Formula: C21H18F4N4O2S
• Molecular Weight: 466.46 g/mol
• Exact Mass: 466.11
• IUPAC Name: 6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
• SMILES: CC(NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)ccc3n2C2CCC2)nc1)C(F)(F)F
• InChI: InChI=1S/C21H18F4N4O2S/c1-12(21(23,24)25)28-32(30,31)15-6-7-18(27-11-15)20-17(10-26)16-9-13(22)5-8-19(16)29(20)14-3-2-4-14/h5-9,11-12,14,28H,2-4H2,1H3
• InChIKey: RCLHEXCONDNUCR-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 87.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.46
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 77181560) is 6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

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

The canonical SMILES for 6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)ccc3n2C2CCC2)nc1)C(F)(F)F.

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

The InChIKey is RCLHEXCONDNUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O2S/c1-12(21(23,24)25)28-32(30,31)15-6-7-18(27-11-15)20-17(10-26)16-9-13(22)5-8-19(16)29(20)14-3-2-4-14/h5-9,11-12,14,28H,2-4H2,1H3.

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

6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 466.46 g/mol, XLogP of 4.67, 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-cyclobutyl-5-fluoroindol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 77181560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).