3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline

C25H22ClN3O2S — CID 18560129

IUPAC3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H22ClN3O2S/c26-19-10-12-21(13-11-19)32(30,31)24-18-27-23-9-5-4-8-22(23)25(24)29-16-14-28(15-17-29)20-6-2-1-3-7-20/h1-13,18H,14-17H2
InChIKeyCVZIKQSYGLGAMU-UHFFFAOYSA-N
MW463.99 g/mol
LogP5.05
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline

3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline (PubChem CID 18560129) has the molecular formula C25H22ClN3O2S and a molecular weight of 463.99 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline
PubChem CID18560129
Molecular FormulaC25H22ClN3O2S
Molecular Weight463.99 g/mol
Exact Mass463.11
IUPAC Name3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H22ClN3O2S/c26-19-10-12-21(13-11-19)32(30,31)24-18-27-23-9-5-4-8-22(23)25(24)29-16-14-28(15-17-29)20-6-2-1-3-7-20/h1-13,18H,14-17H2
InChIKeyCVZIKQSYGLGAMU-UHFFFAOYSA-N
XLogP5.05
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.99
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline (CID 18560129) is 3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline is O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline?
The InChIKey is CVZIKQSYGLGAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2S/c26-19-10-12-21(13-11-19)32(30,31)24-18-27-23-9-5-4-8-22(23)25(24)29-16-14-28(15-17-29)20-6-2-1-3-7-20/h1-13,18H,14-17H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline?
3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline has a molecular weight of 463.99 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline is sourced from PubChem (CID 18560129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).