2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile

C20H21N3O2S — CID 11711146

IUPAC2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)c1ccc2c(c1)CCN2C1CCNCC1
InChIInChI=1S/C20H21N3O2S/c21-14-16-3-1-2-4-20(16)26(24,25)18-5-6-19-15(13-18)9-12-23(19)17-7-10-22-11-8-17/h1-6,13,17,22H,7-12H2
InChIKeyAKBCEOPXCJHHPS-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.51
Rot. Bonds3

About 2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile

2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile (PubChem CID 11711146) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile.

Molecular Properties

Compound Name2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile
PubChem CID11711146
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)c1ccc2c(c1)CCN2C1CCNCC1
InChIInChI=1S/C20H21N3O2S/c21-14-16-3-1-2-4-20(16)26(24,25)18-5-6-19-15(13-18)9-12-23(19)17-7-10-22-11-8-17/h1-6,13,17,22H,7-12H2
InChIKeyAKBCEOPXCJHHPS-UHFFFAOYSA-N
XLogP2.51
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile?
The IUPAC name of 2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile (CID 11711146) is 2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile.
What is the SMILES notation for 2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile?
The canonical SMILES for 2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile is N#Cc1ccccc1S(=O)(=O)c1ccc2c(c1)CCN2C1CCNCC1.
What is the InChIKey of 2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile?
The InChIKey is AKBCEOPXCJHHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c21-14-16-3-1-2-4-20(16)26(24,25)18-5-6-19-15(13-18)9-12-23(19)17-7-10-22-11-8-17/h1-6,13,17,22H,7-12H2.
What are the key properties of 2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile?
2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile has a molecular weight of 367.47 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile is sourced from PubChem (CID 11711146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).