2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide

C22H22F3N5O2S — CID 66733432

About 2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide

2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide (PubChem CID 66733432) has the molecular formula C22H22F3N5O2S and a molecular weight of 477.51 g/mol. Its IUPAC name is 2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide.

Molecular Properties

• Compound Name: 2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
• PubChem CID: 66733432
• Molecular Formula: C22H22F3N5O2S
• Molecular Weight: 477.51 g/mol
• Exact Mass: 477.14
• IUPAC Name: 2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
• SMILES: N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCCC2)c2cc(F)ccc12
• InChI: InChI=1S/C22H22F3N5O2S/c23-9-15(10-24)29-33(31,32)17-12-27-22(28-13-17)21-19(11-26)18-7-6-14(25)8-20(18)30(21)16-4-2-1-3-5-16/h6-8,12-13,15-16,29H,1-5,9-10H2
• InChIKey: FGTCYAGYPLHWRB-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 100.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.51
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?

The IUPAC name of 2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide (CID 66733432) is 2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide.

What is the SMILES notation for 2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?

The canonical SMILES for 2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide is N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCCC2)c2cc(F)ccc12.

What is the InChIKey of 2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?

The InChIKey is FGTCYAGYPLHWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2S/c23-9-15(10-24)29-33(31,32)17-12-27-22(28-13-17)21-19(11-26)18-7-6-14(25)8-20(18)30(21)16-4-2-1-3-5-16/h6-8,12-13,15-16,29H,1-5,9-10H2.

What are the key properties of 2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?

2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide has a molecular weight of 477.51 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 66733432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).