6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide

C22H20F4N4O3S — CID 70370606

About 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide

6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 70370606) has the molecular formula C22H20F4N4O3S and a molecular weight of 496.49 g/mol. Its IUPAC name is 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 70370606
• Molecular Formula: C22H20F4N4O3S
• Molecular Weight: 496.49 g/mol
• Exact Mass: 496.12
• IUPAC Name: 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: C[C@H](CF)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1
• InChI: InChI=1S/C22H20F4N4O3S/c1-12(9-23)29-34(31,32)14-5-6-18(28-11-14)21-16(10-27)15-7-17(24)20(33-22(25)26)8-19(15)30(21)13-3-2-4-13/h5-8,11-13,22,29H,2-4,9H2,1H3/t12-/m1/s1
• InChIKey: AKESACRYBZQNIX-GFCCVEGCSA-N
• XLogP: 4.68
• TPSA: 97.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.49
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide?

The IUPAC name of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide (CID 70370606) is 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide is C[C@H](CF)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1.

What is the InChIKey of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is AKESACRYBZQNIX-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H20F4N4O3S/c1-12(9-23)29-34(31,32)14-5-6-18(28-11-14)21-16(10-27)15-7-17(24)20(33-22(25)26)8-19(15)30(21)13-3-2-4-13/h5-8,11-13,22,29H,2-4,9H2,1H3/t12-/m1/s1.

What are the key properties of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide?

6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 496.49 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-[(2R)-1-fluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 70370606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).