2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole

C19H20N2O2S — CID 59730555

IUPAC2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole
SMILESO=S(=O)(c1ccccc1)c1cc2c(C3CCNCC3)cccc2[nH]1
InChIInChI=1S/C19H20N2O2S/c22-24(23,15-5-2-1-3-6-15)19-13-17-16(7-4-8-18(17)21-19)14-9-11-20-12-10-14/h1-8,13-14,20-21H,9-12H2
InChIKeyADCSIOXWNYBQIF-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.47
Rot. Bonds3

About 2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole

2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole (PubChem CID 59730555) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole
PubChem CID59730555
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole
SMILESO=S(=O)(c1ccccc1)c1cc2c(C3CCNCC3)cccc2[nH]1
InChIInChI=1S/C19H20N2O2S/c22-24(23,15-5-2-1-3-6-15)19-13-17-16(7-4-8-18(17)21-19)14-9-11-20-12-10-14/h1-8,13-14,20-21H,9-12H2
InChIKeyADCSIOXWNYBQIF-UHFFFAOYSA-N
XLogP3.47
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole?
The IUPAC name of 2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole (CID 59730555) is 2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole.
What is the SMILES notation for 2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole?
The canonical SMILES for 2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole is O=S(=O)(c1ccccc1)c1cc2c(C3CCNCC3)cccc2[nH]1.
What is the InChIKey of 2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole?
The InChIKey is ADCSIOXWNYBQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-24(23,15-5-2-1-3-6-15)19-13-17-16(7-4-8-18(17)21-19)14-9-11-20-12-10-14/h1-8,13-14,20-21H,9-12H2.
What are the key properties of 2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole?
2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole has a molecular weight of 340.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-4-piperidin-4-yl-1H-indole is sourced from PubChem (CID 59730555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).