6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

C23H22F4N4O2S — CID 66730671

IUPAC6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCc1c(F)cc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cn3)n(C3CCCC3)c2c1F
InChIInChI=1S/C23H22F4N4O2S/c1-13-19(26)8-17-18(11-28)22(31(23(17)21(13)27)15-4-2-3-5-15)20-7-6-16(12-29-20)34(32,33)30-14(9-24)10-25/h6-8,12,14-15,30H,2-5,9-10H2,1H3
InChIKeyPUJBYJUHHUAUPW-UHFFFAOYSA-N
MW494.51 g/mol
LogP4.86
Rot. Bonds7

About 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 66730671) has the molecular formula C23H22F4N4O2S and a molecular weight of 494.51 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID66730671
Molecular FormulaC23H22F4N4O2S
Molecular Weight494.51 g/mol
Exact Mass494.14
IUPAC Name6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCc1c(F)cc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cn3)n(C3CCCC3)c2c1F
InChIInChI=1S/C23H22F4N4O2S/c1-13-19(26)8-17-18(11-28)22(31(23(17)21(13)27)15-4-2-3-5-15)20-7-6-16(12-29-20)34(32,33)30-14(9-24)10-25/h6-8,12,14-15,30H,2-5,9-10H2,1H3
InChIKeyPUJBYJUHHUAUPW-UHFFFAOYSA-N
XLogP4.86
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (CID 66730671) is 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is Cc1c(F)cc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cn3)n(C3CCCC3)c2c1F.
What is the InChIKey of 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is PUJBYJUHHUAUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O2S/c1-13-19(26)8-17-18(11-28)22(31(23(17)21(13)27)15-4-2-3-5-15)20-7-6-16(12-29-20)34(32,33)30-14(9-24)10-25/h6-8,12,14-15,30H,2-5,9-10H2,1H3.
What are the key properties of 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 494.51 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 66730671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).