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

C23H24F2N4O2S — CID 46940782

IUPAC6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cn3)n(C3CCCC3)c2c1
InChIInChI=1S/C23H24F2N4O2S/c1-15-6-8-19-20(13-26)23(29(22(19)10-15)17-4-2-3-5-17)21-9-7-18(14-27-21)32(30,31)28-16(11-24)12-25/h6-10,14,16-17,28H,2-5,11-12H2,1H3
InChIKeyUPSNIWMFQXJHFR-UHFFFAOYSA-N
MW458.53 g/mol
LogP4.58
Rot. Bonds7

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

6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 46940782) has the molecular formula C23H24F2N4O2S and a molecular weight of 458.53 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID46940782
Molecular FormulaC23H24F2N4O2S
Molecular Weight458.53 g/mol
Exact Mass458.16
IUPAC Name6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cn3)n(C3CCCC3)c2c1
InChIInChI=1S/C23H24F2N4O2S/c1-15-6-8-19-20(13-26)23(29(22(19)10-15)17-4-2-3-5-17)21-9-7-18(14-27-21)32(30,31)28-16(11-24)12-25/h6-10,14,16-17,28H,2-5,11-12H2,1H3
InChIKeyUPSNIWMFQXJHFR-UHFFFAOYSA-N
XLogP4.58
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.58
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-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (CID 46940782) is 6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is Cc1ccc2c(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-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is UPSNIWMFQXJHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2S/c1-15-6-8-19-20(13-26)23(29(22(19)10-15)17-4-2-3-5-17)21-9-7-18(14-27-21)32(30,31)28-16(11-24)12-25/h6-10,14,16-17,28H,2-5,11-12H2,1H3.
What are the key properties of 6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
6-(3-cyano-1-cyclopentyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 458.53 g/mol, XLogP of 4.58, 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-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46940782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).