1-(benzenesulfonyl)-4-piperazin-1-ylindole

C18H19N3O2S — CID 10154392

IUPAC1-(benzenesulfonyl)-4-piperazin-1-ylindole
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2
InChIKeyOPAMDWUUNKYGOR-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.29
Rot. Bonds3

About 1-(benzenesulfonyl)-4-piperazin-1-ylindole

1-(benzenesulfonyl)-4-piperazin-1-ylindole (PubChem CID 10154392) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-piperazin-1-ylindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-piperazin-1-ylindole
PubChem CID10154392
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-(benzenesulfonyl)-4-piperazin-1-ylindole
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2
InChIKeyOPAMDWUUNKYGOR-UHFFFAOYSA-N
XLogP2.29
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-piperazin-1-ylindole?
The IUPAC name of 1-(benzenesulfonyl)-4-piperazin-1-ylindole (CID 10154392) is 1-(benzenesulfonyl)-4-piperazin-1-ylindole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-piperazin-1-ylindole?
The canonical SMILES for 1-(benzenesulfonyl)-4-piperazin-1-ylindole is O=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-(benzenesulfonyl)-4-piperazin-1-ylindole?
The InChIKey is OPAMDWUUNKYGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2.
What are the key properties of 1-(benzenesulfonyl)-4-piperazin-1-ylindole?
1-(benzenesulfonyl)-4-piperazin-1-ylindole has a molecular weight of 341.44 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-piperazin-1-ylindole is sourced from PubChem (CID 10154392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).