6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

C22H20F4N4O3S — CID 46937741

About 6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 46937741) has the molecular formula C22H20F4N4O3S and a molecular weight of 496.49 g/mol. Its IUPAC name is 6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
• PubChem CID: 46937741
• Molecular Formula: C22H20F4N4O3S
• Molecular Weight: 496.49 g/mol
• Exact Mass: 496.12
• IUPAC Name: 6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
• SMILES: N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2ccc(OC(F)F)cc12
• InChI: InChI=1S/C22H20F4N4O3S/c23-9-13(10-24)29-34(31,32)16-5-6-19(28-12-16)21-18(11-27)17-8-15(33-22(25)26)4-7-20(17)30(21)14-2-1-3-14/h4-8,12-14,22,29H,1-3,9-10H2
• InChIKey: LJNZXHOZSVPERQ-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 97.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.49
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (CID 46937741) is 6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

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

The canonical SMILES for 6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2ccc(OC(F)F)cc12.

What is the InChIKey of 6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?

The InChIKey is LJNZXHOZSVPERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O3S/c23-9-13(10-24)29-34(31,32)16-5-6-19(28-12-16)21-18(11-27)17-8-15(33-22(25)26)4-7-20(17)30(21)14-2-1-3-14/h4-8,12-14,22,29H,1-3,9-10H2.

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

6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 496.49 g/mol, XLogP of 4.49, 9 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-5-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46937741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).