3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline

C16H11ClFNO3S — CID 22425183

IUPAC3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline
SMILESCOc1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2ccc(F)cc12
InChIInChI=1S/C16H11ClFNO3S/c1-22-16-13-8-11(18)4-7-14(13)19-9-15(16)23(20,21)12-5-2-10(17)3-6-12/h2-9H,1H3
InChIKeyVSNGNNYJZCYBSE-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.87
Rot. Bonds3

About 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline

3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline (PubChem CID 22425183) has the molecular formula C16H11ClFNO3S and a molecular weight of 351.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline
PubChem CID22425183
Molecular FormulaC16H11ClFNO3S
Molecular Weight351.79 g/mol
Exact Mass351.01
IUPAC Name3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline
SMILESCOc1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2ccc(F)cc12
InChIInChI=1S/C16H11ClFNO3S/c1-22-16-13-8-11(18)4-7-14(13)19-9-15(16)23(20,21)12-5-2-10(17)3-6-12/h2-9H,1H3
InChIKeyVSNGNNYJZCYBSE-UHFFFAOYSA-N
XLogP3.87
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-quinolin-3-ylbenzenesulfonamide
CID 4679684
8-Chloro-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)quinoline
CID 46226975
6-Chloro-3-(4-methoxybenzenesulfonyl)-4-(2-methylpiperidin-1-YL)quinoline
CID 16010897
(E)-2-(4-fluoro-2-methoxystyryl)-5-(2-fluorophenylsulfonyl)pyridine
CID 44439384
Quinoline, 4-(2-(3-chlorophenyl)ethoxy)-8-fluoro-
CID 164187
3-(4-Chlorobenzenesulfonyl)-6-ethoxy-N-(4-ethoxyphenyl)quinolin-4-amine
CID 16010956
4-[3-(4-Chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine
CID 5641721
3-(4-Chlorophenyl)sulfonyl-6-methoxy-4-(4-methylpiperidin-1-yl)quinoline
CID 5641727
7-Chloro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 24782510
4-[3-(3-Chlorophenyl)sulfonyl-6-methoxyquinolin-4-yl]morpholine
CID 24783274
6-Fluoro-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 24785285
6-Fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 24785286

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline (CID 22425183) is 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline is COc1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2ccc(F)cc12.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline?
The InChIKey is VSNGNNYJZCYBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO3S/c1-22-16-13-8-11(18)4-7-14(13)19-9-15(16)23(20,21)12-5-2-10(17)3-6-12/h2-9H,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline?
3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline has a molecular weight of 351.79 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-6-fluoro-4-methoxyquinoline is sourced from PubChem (CID 22425183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).