5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole

C22H26N2O2S — CID 71179499

IUPAC5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole
SMILESCN1CCC(c2c[nH]c3ccc(CCS(=O)(=O)c4ccccc4)cc23)CC1
InChIInChI=1S/C22H26N2O2S/c1-24-12-9-18(10-13-24)21-16-23-22-8-7-17(15-20(21)22)11-14-27(25,26)19-5-3-2-4-6-19/h2-8,15-16,18,23H,9-14H2,1H3
InChIKeyYULOUVBHLSENIH-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.99
Rot. Bonds5

About 5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole

5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole (PubChem CID 71179499) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole
PubChem CID71179499
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole
SMILESCN1CCC(c2c[nH]c3ccc(CCS(=O)(=O)c4ccccc4)cc23)CC1
InChIInChI=1S/C22H26N2O2S/c1-24-12-9-18(10-13-24)21-16-23-22-8-7-17(15-20(21)22)11-14-27(25,26)19-5-3-2-4-6-19/h2-8,15-16,18,23H,9-14H2,1H3
InChIKeyYULOUVBHLSENIH-UHFFFAOYSA-N
XLogP3.99
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole?
The IUPAC name of 5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole (CID 71179499) is 5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole is CN1CCC(c2c[nH]c3ccc(CCS(=O)(=O)c4ccccc4)cc23)CC1.
What is the InChIKey of 5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole?
The InChIKey is YULOUVBHLSENIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-24-12-9-18(10-13-24)21-16-23-22-8-7-17(15-20(21)22)11-14-27(25,26)19-5-3-2-4-6-19/h2-8,15-16,18,23H,9-14H2,1H3.
What are the key properties of 5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole?
5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole has a molecular weight of 382.53 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 71179499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).