7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline

C19H16Cl3N3O2S — CID 2957990

IUPAC7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H16Cl3N3O2S/c20-13-1-3-15-18(11-13)23-6-5-19(15)24-7-9-25(10-8-24)28(26,27)14-2-4-16(21)17(22)12-14/h1-6,11-12H,7-10H2
InChIKeyZACLBOIAQNPMOB-UHFFFAOYSA-N
MW456.78 g/mol
LogP4.71
Rot. Bonds3

About 7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline

7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline (PubChem CID 2957990) has the molecular formula C19H16Cl3N3O2S and a molecular weight of 456.78 g/mol. Its IUPAC name is 7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
PubChem CID2957990
Molecular FormulaC19H16Cl3N3O2S
Molecular Weight456.78 g/mol
Exact Mass455.00
IUPAC Name7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H16Cl3N3O2S/c20-13-1-3-15-18(11-13)23-6-5-19(15)24-7-9-25(10-8-24)28(26,27)14-2-4-16(21)17(22)12-14/h1-6,11-12H,7-10H2
InChIKeyZACLBOIAQNPMOB-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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Related Compounds

7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 71658756
4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline
CID 2823722
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
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 26452830
7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine
CID 21314880
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline (CID 2957990) is 7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline?
The InChIKey is ZACLBOIAQNPMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3O2S/c20-13-1-3-15-18(11-13)23-6-5-19(15)24-7-9-25(10-8-24)28(26,27)14-2-4-16(21)17(22)12-14/h1-6,11-12H,7-10H2.
What are the key properties of 7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline?
7-chloro-4-[4-(3,4-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-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline is sourced from PubChem (CID 2957990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).