3-(benzenesulfonyl)-8-piperazin-1-ylquinoline

C19H19N3O2S — CID 11256720

IUPAC3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
SMILESO=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1
InChIInChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
InChIKeyJJZFWROHYSMCMU-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.48
Rot. Bonds3

About 3-(benzenesulfonyl)-8-piperazin-1-ylquinoline

3-(benzenesulfonyl)-8-piperazin-1-ylquinoline (PubChem CID 11256720) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-8-piperazin-1-ylquinoline.

Molecular Properties

Compound Name3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
PubChem CID11256720
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
SMILESO=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1
InChIInChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
InChIKeyJJZFWROHYSMCMU-UHFFFAOYSA-N
XLogP2.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-8-piperazin-1-ylquinoline?
The IUPAC name of 3-(benzenesulfonyl)-8-piperazin-1-ylquinoline (CID 11256720) is 3-(benzenesulfonyl)-8-piperazin-1-ylquinoline.
What is the SMILES notation for 3-(benzenesulfonyl)-8-piperazin-1-ylquinoline?
The canonical SMILES for 3-(benzenesulfonyl)-8-piperazin-1-ylquinoline is O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1.
What is the InChIKey of 3-(benzenesulfonyl)-8-piperazin-1-ylquinoline?
The InChIKey is JJZFWROHYSMCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2.
What are the key properties of 3-(benzenesulfonyl)-8-piperazin-1-ylquinoline?
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline has a molecular weight of 353.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-8-piperazin-1-ylquinoline is sourced from PubChem (CID 11256720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).