3-(benzenesulfonyl)-1-piperidin-3-ylindole

C19H20N2O2S — CID 10042892

IUPAC3-(benzenesulfonyl)-1-piperidin-3-ylindole
SMILESO=S(=O)(c1ccccc1)c1cn(C2CCCNC2)c2ccccc12
InChIInChI=1S/C19H20N2O2S/c22-24(23,16-8-2-1-3-9-16)19-14-21(15-7-6-12-20-13-15)18-11-5-4-10-17(18)19/h1-5,8-11,14-15,20H,6-7,12-13H2
InChIKeyQAYPUMLPFJDPQW-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.40
Rot. Bonds3

About 3-(benzenesulfonyl)-1-piperidin-3-ylindole

3-(benzenesulfonyl)-1-piperidin-3-ylindole (PubChem CID 10042892) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-piperidin-3-ylindole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-piperidin-3-ylindole
PubChem CID10042892
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-(benzenesulfonyl)-1-piperidin-3-ylindole
SMILESO=S(=O)(c1ccccc1)c1cn(C2CCCNC2)c2ccccc12
InChIInChI=1S/C19H20N2O2S/c22-24(23,16-8-2-1-3-9-16)19-14-21(15-7-6-12-20-13-15)18-11-5-4-10-17(18)19/h1-5,8-11,14-15,20H,6-7,12-13H2
InChIKeyQAYPUMLPFJDPQW-UHFFFAOYSA-N
XLogP3.40
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-piperidin-3-ylindole?
The IUPAC name of 3-(benzenesulfonyl)-1-piperidin-3-ylindole (CID 10042892) is 3-(benzenesulfonyl)-1-piperidin-3-ylindole.
What is the SMILES notation for 3-(benzenesulfonyl)-1-piperidin-3-ylindole?
The canonical SMILES for 3-(benzenesulfonyl)-1-piperidin-3-ylindole is O=S(=O)(c1ccccc1)c1cn(C2CCCNC2)c2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-1-piperidin-3-ylindole?
The InChIKey is QAYPUMLPFJDPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-24(23,16-8-2-1-3-9-16)19-14-21(15-7-6-12-20-13-15)18-11-5-4-10-17(18)19/h1-5,8-11,14-15,20H,6-7,12-13H2.
What are the key properties of 3-(benzenesulfonyl)-1-piperidin-3-ylindole?
3-(benzenesulfonyl)-1-piperidin-3-ylindole has a molecular weight of 340.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-piperidin-3-ylindole is sourced from PubChem (CID 10042892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).