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

C18H19N3O2S — CID 66917393

IUPAC2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole
SMILESO=S(=O)(c1ccccc1)c1[nH]c2ccccc2c1N1CCNCC1
InChIInChI=1S/C18H19N3O2S/c22-24(23,14-6-2-1-3-7-14)18-17(21-12-10-19-11-13-21)15-8-4-5-9-16(15)20-18/h1-9,19-20H,10-13H2
InChIKeyCYSOTKGXXYCUPS-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.41
Rot. Bonds3

About 2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole

2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole (PubChem CID 66917393) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole
PubChem CID66917393
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole
SMILESO=S(=O)(c1ccccc1)c1[nH]c2ccccc2c1N1CCNCC1
InChIInChI=1S/C18H19N3O2S/c22-24(23,14-6-2-1-3-7-14)18-17(21-12-10-19-11-13-21)15-8-4-5-9-16(15)20-18/h1-9,19-20H,10-13H2
InChIKeyCYSOTKGXXYCUPS-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 2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole?
The IUPAC name of 2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole (CID 66917393) is 2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole.
What is the SMILES notation for 2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole?
The canonical SMILES for 2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole is O=S(=O)(c1ccccc1)c1[nH]c2ccccc2c1N1CCNCC1.
What is the InChIKey of 2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole?
The InChIKey is CYSOTKGXXYCUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-24(23,14-6-2-1-3-7-14)18-17(21-12-10-19-11-13-21)15-8-4-5-9-16(15)20-18/h1-9,19-20H,10-13H2.
What are the key properties of 2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole?
2-(benzenesulfonyl)-3-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 2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole is sourced from PubChem (CID 66917393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).