6-[3,6-dicyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C22H18F3N5O2S — CID 77181744

About 6-[3,6-dicyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

6-[3,6-dicyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 77181744) has the molecular formula C22H18F3N5O2S and a molecular weight of 473.48 g/mol. Its IUPAC name is 6-[3,6-dicyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-[3,6-dicyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
• PubChem CID: 77181744
• Molecular Formula: C22H18F3N5O2S
• Molecular Weight: 473.48 g/mol
• Exact Mass: 473.11
• IUPAC Name: 6-[3,6-dicyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
• SMILES: CC(NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C#N)cc3n2CC2CC2)nc1)C(F)(F)F
• InChI: InChI=1S/C22H18F3N5O2S/c1-13(22(23,24)25)29-33(31,32)16-5-7-19(28-11-16)21-18(10-27)17-6-4-15(9-26)8-20(17)30(21)12-14-2-3-14/h4-8,11,13-14,29H,2-3,12H2,1H3
• InChIKey: CXIFXLHDXKHKHH-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 111.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.48
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[3,6-dicyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 77181744) is 6-[3,6-dicyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

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

The canonical SMILES for 6-[3,6-dicyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C#N)cc3n2CC2CC2)nc1)C(F)(F)F.

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

The InChIKey is CXIFXLHDXKHKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2S/c1-13(22(23,24)25)29-33(31,32)16-5-7-19(28-11-16)21-18(10-27)17-6-4-15(9-26)8-20(17)30(21)12-14-2-3-14/h4-8,11,13-14,29H,2-3,12H2,1H3.

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

6-[3,6-dicyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 473.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3,6-dicyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 77181744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).