3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole

C18H19N3O2S — CID 10154393

IUPAC3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCNCC3)cccc12
InChIInChI=1S/C18H19N3O2S/c22-24(23,14-5-2-1-3-6-14)17-13-20-18-15(17)7-4-8-16(18)21-11-9-19-10-12-21/h1-8,13,19-20H,9-12H2
InChIKeyGDAVGFZIUMQUFK-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.41
Rot. Bonds3

About 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole

3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole (PubChem CID 10154393) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole
PubChem CID10154393
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCNCC3)cccc12
InChIInChI=1S/C18H19N3O2S/c22-24(23,14-5-2-1-3-6-14)17-13-20-18-15(17)7-4-8-16(18)21-11-9-19-10-12-21/h1-8,13,19-20H,9-12H2
InChIKeyGDAVGFZIUMQUFK-UHFFFAOYSA-N
XLogP2.41
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole?
The IUPAC name of 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole (CID 10154393) is 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole.
What is the SMILES notation for 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole?
The canonical SMILES for 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole is O=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCNCC3)cccc12.
What is the InChIKey of 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole?
The InChIKey is GDAVGFZIUMQUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-24(23,14-5-2-1-3-6-14)17-13-20-18-15(17)7-4-8-16(18)21-11-9-19-10-12-21/h1-8,13,19-20H,9-12H2.
What are the key properties of 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole?
3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole has a molecular weight of 341.44 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-indole is sourced from PubChem (CID 10154393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).