3-(benzenesulfonyl)-4-(2-piperidin-1-ylethyl)-1H-indole

C21H24N2O2S — CID 24861250

IUPAC3-(benzenesulfonyl)-4-(2-piperidin-1-ylethyl)-1H-indole
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCN3CCCCC3)c12
InChIInChI=1S/C21H24N2O2S/c24-26(25,18-9-3-1-4-10-18)20-16-22-19-11-7-8-17(21(19)20)12-15-23-13-5-2-6-14-23/h1,3-4,7-11,16,22H,2,5-6,12-15H2
InChIKeyWLLDZAMGIXUOIX-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.03
Rot. Bonds5

About 3-(benzenesulfonyl)-4-(2-piperidin-1-ylethyl)-1H-indole

3-(benzenesulfonyl)-4-(2-piperidin-1-ylethyl)-1H-indole (PubChem CID 24861250) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-(2-piperidin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-(2-piperidin-1-ylethyl)-1H-indole
PubChem CID24861250
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name3-(benzenesulfonyl)-4-(2-piperidin-1-ylethyl)-1H-indole
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCN3CCCCC3)c12
InChIInChI=1S/C21H24N2O2S/c24-26(25,18-9-3-1-4-10-18)20-16-22-19-11-7-8-17(21(19)20)12-15-23-13-5-2-6-14-23/h1,3-4,7-11,16,22H,2,5-6,12-15H2
InChIKeyWLLDZAMGIXUOIX-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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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-(2-piperidin-1-ylethyl)-1H-indole?
The IUPAC name of 3-(benzenesulfonyl)-4-(2-piperidin-1-ylethyl)-1H-indole (CID 24861250) is 3-(benzenesulfonyl)-4-(2-piperidin-1-ylethyl)-1H-indole.
What is the SMILES notation for 3-(benzenesulfonyl)-4-(2-piperidin-1-ylethyl)-1H-indole?
The canonical SMILES for 3-(benzenesulfonyl)-4-(2-piperidin-1-ylethyl)-1H-indole is O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCN3CCCCC3)c12.
What is the InChIKey of 3-(benzenesulfonyl)-4-(2-piperidin-1-ylethyl)-1H-indole?
The InChIKey is WLLDZAMGIXUOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c24-26(25,18-9-3-1-4-10-18)20-16-22-19-11-7-8-17(21(19)20)12-15-23-13-5-2-6-14-23/h1,3-4,7-11,16,22H,2,5-6,12-15H2.
What are the key properties of 3-(benzenesulfonyl)-4-(2-piperidin-1-ylethyl)-1H-indole?
3-(benzenesulfonyl)-4-(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)-4-(2-piperidin-1-ylethyl)-1H-indole is sourced from PubChem (CID 24861250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).