8-(4-benzylpiperazin-1-yl)sulfonylquinoline

C20H21N3O2S — CID 1281731

IUPAC8-(4-benzylpiperazin-1-yl)sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H21N3O2S/c24-26(25,19-10-4-8-18-9-5-11-21-20(18)19)23-14-12-22(13-15-23)16-17-6-2-1-3-7-17/h1-11H,12-16H2
InChIKeyQDADFNBPZDWIDW-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.74
Rot. Bonds4

About 8-(4-benzylpiperazin-1-yl)sulfonylquinoline

8-(4-benzylpiperazin-1-yl)sulfonylquinoline (PubChem CID 1281731) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 8-(4-benzylpiperazin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name8-(4-benzylpiperazin-1-yl)sulfonylquinoline
PubChem CID1281731
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name8-(4-benzylpiperazin-1-yl)sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H21N3O2S/c24-26(25,19-10-4-8-18-9-5-11-21-20(18)19)23-14-12-22(13-15-23)16-17-6-2-1-3-7-17/h1-11H,12-16H2
InChIKeyQDADFNBPZDWIDW-UHFFFAOYSA-N
XLogP2.74
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-benzylpiperazin-1-yl)sulfonylquinoline?
The IUPAC name of 8-(4-benzylpiperazin-1-yl)sulfonylquinoline (CID 1281731) is 8-(4-benzylpiperazin-1-yl)sulfonylquinoline.
What is the SMILES notation for 8-(4-benzylpiperazin-1-yl)sulfonylquinoline?
The canonical SMILES for 8-(4-benzylpiperazin-1-yl)sulfonylquinoline is O=S(=O)(c1cccc2cccnc12)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 8-(4-benzylpiperazin-1-yl)sulfonylquinoline?
The InChIKey is QDADFNBPZDWIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-26(25,19-10-4-8-18-9-5-11-21-20(18)19)23-14-12-22(13-15-23)16-17-6-2-1-3-7-17/h1-11H,12-16H2.
What are the key properties of 8-(4-benzylpiperazin-1-yl)sulfonylquinoline?
8-(4-benzylpiperazin-1-yl)sulfonylquinoline has a molecular weight of 367.47 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-benzylpiperazin-1-yl)sulfonylquinoline is sourced from PubChem (CID 1281731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).