7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline

C19H16Cl3N3O2S — CID 71658756

IUPAC7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H16Cl3N3O2S/c20-13-1-3-15-17(11-13)23-6-5-18(15)24-7-9-25(10-8-24)28(26,27)19-12-14(21)2-4-16(19)22/h1-6,11-12H,7-10H2
InChIKeyCLVMMCXYGIYZKH-UHFFFAOYSA-N
MW456.78 g/mol
LogP4.71
Rot. Bonds3

About 7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline

7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline (PubChem CID 71658756) has the molecular formula C19H16Cl3N3O2S and a molecular weight of 456.78 g/mol. Its IUPAC name is 7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
PubChem CID71658756
Molecular FormulaC19H16Cl3N3O2S
Molecular Weight456.78 g/mol
Exact Mass455.00
IUPAC Name7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H16Cl3N3O2S/c20-13-1-3-15-17(11-13)23-6-5-18(15)24-7-9-25(10-8-24)28(26,27)19-12-14(21)2-4-16(19)22/h1-6,11-12H,7-10H2
InChIKeyCLVMMCXYGIYZKH-UHFFFAOYSA-N
XLogP4.71
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.78
LogP ≤ 54.71
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-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline (CID 71658756) is 7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline?
The InChIKey is CLVMMCXYGIYZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3O2S/c20-13-1-3-15-17(11-13)23-6-5-18(15)24-7-9-25(10-8-24)28(26,27)19-12-14(21)2-4-16(19)22/h1-6,11-12H,7-10H2.
What are the key properties of 7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline?
7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline has a molecular weight of 456.78 g/mol, XLogP of 4.71, 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-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline is sourced from PubChem (CID 71658756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).