4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline

C19H17BrClN3O2S — CID 2823722

IUPAC4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline
SMILESO=S(=O)(c1cccc(Br)c1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H17BrClN3O2S/c20-14-2-1-3-16(12-14)27(25,26)24-10-8-23(9-11-24)19-6-7-22-18-13-15(21)4-5-17(18)19/h1-7,12-13H,8-11H2
InChIKeyPLXIPEBXLVKFAJ-UHFFFAOYSA-N
MW466.79 g/mol
LogP4.16
Rot. Bonds3

About 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline

4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline (PubChem CID 2823722) has the molecular formula C19H17BrClN3O2S and a molecular weight of 466.79 g/mol. Its IUPAC name is 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline.

Molecular Properties

Compound Name4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline
PubChem CID2823722
Molecular FormulaC19H17BrClN3O2S
Molecular Weight466.79 g/mol
Exact Mass464.99
IUPAC Name4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline
SMILESO=S(=O)(c1cccc(Br)c1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H17BrClN3O2S/c20-14-2-1-3-16(12-14)27(25,26)24-10-8-23(9-11-24)19-6-7-22-18-13-15(21)4-5-17(18)19/h1-7,12-13H,8-11H2
InChIKeyPLXIPEBXLVKFAJ-UHFFFAOYSA-N
XLogP4.16
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.79
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 2957990
7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 71658756
6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione
CID 5301727
5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 60503012
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
1-(3-bromophenyl)-3-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-1-sulfanylurea
CID 87695026
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 27829270
7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 26452830
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
4-(7-chloroquinolin-4-yl)piperazin-2-one
CID 39847442

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline?
The IUPAC name of 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline (CID 2823722) is 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline.
What is the SMILES notation for 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline?
The canonical SMILES for 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline is O=S(=O)(c1cccc(Br)c1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline?
The InChIKey is PLXIPEBXLVKFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClN3O2S/c20-14-2-1-3-16(12-14)27(25,26)24-10-8-23(9-11-24)19-6-7-22-18-13-15(21)4-5-17(18)19/h1-7,12-13H,8-11H2.
What are the key properties of 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline?
4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline has a molecular weight of 466.79 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline is sourced from PubChem (CID 2823722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).