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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-6-(3-cyano-6-ethyl-5-fluoro-1-(pyrimidin-2-yl)-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 66731056
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
5-Vinyl-3-pyridinecarbonitrile, 43
CID 44473025
US9974785, Example 2
CID 118654422
US9974785, Example 5
CID 118654426
4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 4625387
Substituted phenylsulfonyltryptamine, 11e
CID 23655290
4-fluoro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11280663
2-fluoro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11749539
N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
CID 71462621
1-(3-Fluorophenyl)sulfonyl-3-methyl-4-piperazin-1-ylindole
CID 168285508
1-(4-Fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10091613

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).