6-(3-cyano-1-cyclopentyl-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

C24H26F2N4O2S — CID 66798531

IUPAC6-(3-cyano-1-cyclopentyl-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCCc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cn3)n(C3CCCC3)c2c1
InChIInChI=1S/C24H26F2N4O2S/c1-2-16-7-9-20-21(14-27)24(30(23(20)11-16)18-5-3-4-6-18)22-10-8-19(15-28-22)33(31,32)29-17(12-25)13-26/h7-11,15,17-18,29H,2-6,12-13H2,1H3
InChIKeyVDQBGIVKLFJJAJ-UHFFFAOYSA-N
MW472.56 g/mol
LogP4.84
Rot. Bonds8

About 6-(3-cyano-1-cyclopentyl-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

6-(3-cyano-1-cyclopentyl-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 66798531) has the molecular formula C24H26F2N4O2S and a molecular weight of 472.56 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclopentyl-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclopentyl-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID66798531
Molecular FormulaC24H26F2N4O2S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC Name6-(3-cyano-1-cyclopentyl-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCCc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cn3)n(C3CCCC3)c2c1
InChIInChI=1S/C24H26F2N4O2S/c1-2-16-7-9-20-21(14-27)24(30(23(20)11-16)18-5-3-4-6-18)22-10-8-19(15-28-22)33(31,32)29-17(12-25)13-26/h7-11,15,17-18,29H,2-6,12-13H2,1H3
InChIKeyVDQBGIVKLFJJAJ-UHFFFAOYSA-N
XLogP4.84
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.84
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-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclopentyl-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (CID 66798531) is 6-(3-cyano-1-cyclopentyl-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclopentyl-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclopentyl-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is CCc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cn3)n(C3CCCC3)c2c1.
What is the InChIKey of 6-(3-cyano-1-cyclopentyl-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is VDQBGIVKLFJJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2S/c1-2-16-7-9-20-21(14-27)24(30(23(20)11-16)18-5-3-4-6-18)22-10-8-19(15-28-22)33(31,32)29-17(12-25)13-26/h7-11,15,17-18,29H,2-6,12-13H2,1H3.
What are the key properties of 6-(3-cyano-1-cyclopentyl-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
6-(3-cyano-1-cyclopentyl-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 472.56 g/mol, XLogP of 4.84, 8 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-6-ethylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 66798531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).