7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline

C19H17Cl2N3O2S — CID 1241327

IUPAC7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H17Cl2N3O2S/c20-14-1-4-16(5-2-14)27(25,26)24-11-9-23(10-12-24)19-7-8-22-18-13-15(21)3-6-17(18)19/h1-8,13H,9-12H2
InChIKeyGIEHIZKCIZLXLF-UHFFFAOYSA-N
MW422.34 g/mol
LogP4.05
Rot. Bonds3

About 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline

7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline (PubChem CID 1241327) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline
PubChem CID1241327
Molecular FormulaC19H17Cl2N3O2S
Molecular Weight422.34 g/mol
Exact Mass421.04
IUPAC Name7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H17Cl2N3O2S/c20-14-1-4-16(5-2-14)27(25,26)24-11-9-23(10-12-24)19-7-8-22-18-13-15(21)3-6-17(18)19/h1-8,13H,9-12H2
InChIKeyGIEHIZKCIZLXLF-UHFFFAOYSA-N
XLogP4.05
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline (CID 1241327) is 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline is O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline?
The InChIKey is GIEHIZKCIZLXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S/c20-14-1-4-16(5-2-14)27(25,26)24-11-9-23(10-12-24)19-7-8-22-18-13-15(21)3-6-17(18)19/h1-8,13H,9-12H2.
What are the key properties of 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline?
7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline has a molecular weight of 422.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline is sourced from PubChem (CID 1241327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).