1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole

C22H26N2O3S — CID 10111488

IUPAC1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole
SMILESCOc1ccc2c(c1)c(CCN1CCCCC1)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H26N2O3S/c1-27-19-10-11-22-21(16-19)18(12-15-23-13-6-3-7-14-23)17-24(22)28(25,26)20-8-4-2-5-9-20/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3
InChIKeyQGHQLNRTTLQPIO-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.92
Rot. Bonds6

About 1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole

1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole (PubChem CID 10111488) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole
PubChem CID10111488
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole
SMILESCOc1ccc2c(c1)c(CCN1CCCCC1)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H26N2O3S/c1-27-19-10-11-22-21(16-19)18(12-15-23-13-6-3-7-14-23)17-24(22)28(25,26)20-8-4-2-5-9-20/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3
InChIKeyQGHQLNRTTLQPIO-UHFFFAOYSA-N
XLogP3.92
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole 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 1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole?
The IUPAC name of 1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole (CID 10111488) is 1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole?
The canonical SMILES for 1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole is COc1ccc2c(c1)c(CCN1CCCCC1)cn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole?
The InChIKey is QGHQLNRTTLQPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-27-19-10-11-22-21(16-19)18(12-15-23-13-6-3-7-14-23)17-24(22)28(25,26)20-8-4-2-5-9-20/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole?
1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole has a molecular weight of 398.53 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole is sourced from PubChem (CID 10111488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).