3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole

C21H24N2O2S — CID 24860772

IUPAC3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2cc(CCN3CCCCC3)ccc12
InChIInChI=1S/C21H24N2O2S/c24-26(25,18-7-3-1-4-8-18)21-16-22-20-15-17(9-10-19(20)21)11-14-23-12-5-2-6-13-23/h1,3-4,7-10,15-16,22H,2,5-6,11-14H2
InChIKeyBMVOXKQVYHAXGL-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.03
Rot. Bonds5

About 3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole

3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole (PubChem CID 24860772) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole
PubChem CID24860772
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2cc(CCN3CCCCC3)ccc12
InChIInChI=1S/C21H24N2O2S/c24-26(25,18-7-3-1-4-8-18)21-16-22-20-15-17(9-10-19(20)21)11-14-23-12-5-2-6-13-23/h1,3-4,7-10,15-16,22H,2,5-6,11-14H2
InChIKeyBMVOXKQVYHAXGL-UHFFFAOYSA-N
XLogP4.03
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole
CID 58955124
2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol
CID 58955092
methyl 2-[2-[3-(benzenesulfonyl)-1H-indol-6-yl]ethyl]-4-methylbenzenesulfonate
CID 87541969
2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine
CID 24861016
6-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 75084907
3-(benzenesulfonyl)-5-chloro-1H-indole
CID 54518523
2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol;2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethyl 4-methylbenzenesulfonate
CID 158133431
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-(4-piperazin-1-ylphenyl)sulfonyl-1H-indole
CID 10450002
5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 67074900
1-[2-(benzenesulfonyl)ethyl]pyrrolidine;hydrochloride
CID 117068077
benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
CID 10110089

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole?
The IUPAC name of 3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole (CID 24860772) is 3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole.
What is the SMILES notation for 3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole?
The canonical SMILES for 3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole is O=S(=O)(c1ccccc1)c1c[nH]c2cc(CCN3CCCCC3)ccc12.
What is the InChIKey of 3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole?
The InChIKey is BMVOXKQVYHAXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c24-26(25,18-7-3-1-4-8-18)21-16-22-20-15-17(9-10-19(20)21)11-14-23-12-5-2-6-13-23/h1,3-4,7-10,15-16,22H,2,5-6,11-14H2.
What are the key properties of 3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole?
3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole has a molecular weight of 368.50 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole is sourced from PubChem (CID 24860772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).