8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline

C20H19ClFN3O2S — CID 55625872

IUPAC8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(Cc2cc(F)cc3cccnc23)CC1
InChIInChI=1S/C20H19ClFN3O2S/c21-18-5-1-2-6-19(18)28(26,27)25-10-8-24(9-11-25)14-16-13-17(22)12-15-4-3-7-23-20(15)16/h1-7,12-13H,8-11,14H2
InChIKeyYWHKRFSHBKDMGM-UHFFFAOYSA-N
MW419.91 g/mol
LogP3.53
Rot. Bonds4

About 8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline

8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline (PubChem CID 55625872) has the molecular formula C20H19ClFN3O2S and a molecular weight of 419.91 g/mol. Its IUPAC name is 8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline.

Molecular Properties

Compound Name8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline
PubChem CID55625872
Molecular FormulaC20H19ClFN3O2S
Molecular Weight419.91 g/mol
Exact Mass419.09
IUPAC Name8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(Cc2cc(F)cc3cccnc23)CC1
InChIInChI=1S/C20H19ClFN3O2S/c21-18-5-1-2-6-19(18)28(26,27)25-10-8-24(9-11-25)14-16-13-17(22)12-15-4-3-7-23-20(15)16/h1-7,12-13H,8-11,14H2
InChIKeyYWHKRFSHBKDMGM-UHFFFAOYSA-N
XLogP3.53
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline
CID 46405422
4-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 55625793
1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 38748587
8-[[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methyl]quinoline
CID 55598876
1-(2-chlorophenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 38749302
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964
4-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 46405686
1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 46556545
7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol
CID 46837185
1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413023
1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione
CID 97185355
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413660

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline?
The IUPAC name of 8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline (CID 55625872) is 8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline.
What is the SMILES notation for 8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline?
The canonical SMILES for 8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline is O=S(=O)(c1ccccc1Cl)N1CCN(Cc2cc(F)cc3cccnc23)CC1.
What is the InChIKey of 8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline?
The InChIKey is YWHKRFSHBKDMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2S/c21-18-5-1-2-6-19(18)28(26,27)25-10-8-24(9-11-25)14-16-13-17(22)12-15-4-3-7-23-20(15)16/h1-7,12-13H,8-11,14H2.
What are the key properties of 8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline?
8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline has a molecular weight of 419.91 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline is sourced from PubChem (CID 55625872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).