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

C22H26N2O2S — CID 24861356

IUPAC3-(benzenesulfonyl)-4-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole
SMILESCC1CCCCN1CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C22H26N2O2S/c1-17-8-5-6-14-24(17)15-13-18-9-7-12-20-22(18)21(16-23-20)27(25,26)19-10-3-2-4-11-19/h2-4,7,9-12,16-17,23H,5-6,8,13-15H2,1H3
InChIKeyBOQKMDDOTKOYRK-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.42
Rot. Bonds5

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

3-(benzenesulfonyl)-4-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole (PubChem CID 24861356) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole
PubChem CID24861356
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name3-(benzenesulfonyl)-4-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole
SMILESCC1CCCCN1CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C22H26N2O2S/c1-17-8-5-6-14-24(17)15-13-18-9-7-12-20-22(18)21(16-23-20)27(25,26)19-10-3-2-4-11-19/h2-4,7,9-12,16-17,23H,5-6,8,13-15H2,1H3
InChIKeyBOQKMDDOTKOYRK-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole?
The IUPAC name of 3-(benzenesulfonyl)-4-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole (CID 24861356) is 3-(benzenesulfonyl)-4-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole.
What is the SMILES notation for 3-(benzenesulfonyl)-4-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole?
The canonical SMILES for 3-(benzenesulfonyl)-4-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole is CC1CCCCN1CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12.
What is the InChIKey of 3-(benzenesulfonyl)-4-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole?
The InChIKey is BOQKMDDOTKOYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-17-8-5-6-14-24(17)15-13-18-9-7-12-20-22(18)21(16-23-20)27(25,26)19-10-3-2-4-11-19/h2-4,7,9-12,16-17,23H,5-6,8,13-15H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-4-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole?
3-(benzenesulfonyl)-4-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole has a molecular weight of 382.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole is sourced from PubChem (CID 24861356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).