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

C23H22F4N4O3S — CID 46937860

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

6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 46937860) has the molecular formula C23H22F4N4O3S and a molecular weight of 510.51 g/mol. Its IUPAC name is 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
• PubChem CID: 46937860
• Molecular Formula: C23H22F4N4O3S
• Molecular Weight: 510.51 g/mol
• Exact Mass: 510.13
• IUPAC Name: 6-[3-cyano-1-cyclopentyl-6-(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(C2CCCC2)c2cc(OC(F)F)ccc12
• InChI: InChI=1S/C23H22F4N4O3S/c24-10-14(11-25)30-35(32,33)17-6-8-20(29-13-17)22-19(12-28)18-7-5-16(34-23(26)27)9-21(18)31(22)15-3-1-2-4-15/h5-9,13-15,23,30H,1-4,10-11H2
• InChIKey: ALZFLVROPWORHJ-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 97.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.51
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (CID 46937860) is 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

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

The canonical SMILES for 6-[3-cyano-1-cyclopentyl-6-(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(C2CCCC2)c2cc(OC(F)F)ccc12.

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

The InChIKey is ALZFLVROPWORHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O3S/c24-10-14(11-25)30-35(32,33)17-6-8-20(29-13-17)22-19(12-28)18-7-5-16(34-23(26)27)9-21(18)31(22)15-3-1-2-4-15/h5-9,13-15,23,30H,1-4,10-11H2.

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

6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 510.51 g/mol, XLogP of 4.88, 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-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46937860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).