5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol

C20H20ClN3O3S — CID 3604468

IUPAC5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIInChI=1S/C20H20ClN3O3S/c21-16-4-6-17(7-5-16)28(26,27)24-12-10-23(11-13-24)14-15-3-8-19(25)20-18(15)2-1-9-22-20/h1-9,25H,10-14H2
InChIKeyULBTUDRQBQAFHJ-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.10
Rot. Bonds4

About 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol

5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol (PubChem CID 3604468) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol
PubChem CID3604468
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIInChI=1S/C20H20ClN3O3S/c21-16-4-6-17(7-5-16)28(26,27)24-12-10-23(11-13-24)14-15-3-8-19(25)20-18(15)2-1-9-22-20/h1-9,25H,10-14H2
InChIKeyULBTUDRQBQAFHJ-UHFFFAOYSA-N
XLogP3.10
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol (CID 3604468) is 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol is O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccc(O)c3ncccc23)CC1.
What is the InChIKey of 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol?
The InChIKey is ULBTUDRQBQAFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c21-16-4-6-17(7-5-16)28(26,27)24-12-10-23(11-13-24)14-15-3-8-19(25)20-18(15)2-1-9-22-20/h1-9,25H,10-14H2.
What are the key properties of 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol?
5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol has a molecular weight of 417.92 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 3604468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).