6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one

C15H8ClF2NO3S — CID 46507316

IUPAC6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one
SMILESO=c1c(S(=O)(=O)c2ccc(F)cc2)c[nH]c2c(F)cc(Cl)cc12
InChIInChI=1S/C15H8ClF2NO3S/c16-8-5-11-14(12(18)6-8)19-7-13(15(11)20)23(21,22)10-3-1-9(17)2-4-10/h1-7H,(H,19,20)
InChIKeyZVLXATAZAKFSOM-UHFFFAOYSA-N
MW355.75 g/mol
LogP3.29
Rot. Bonds2

About 6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one

6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one (PubChem CID 46507316) has the molecular formula C15H8ClF2NO3S and a molecular weight of 355.75 g/mol. Its IUPAC name is 6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one
PubChem CID46507316
Molecular FormulaC15H8ClF2NO3S
Molecular Weight355.75 g/mol
Exact Mass354.99
IUPAC Name6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one
SMILESO=c1c(S(=O)(=O)c2ccc(F)cc2)c[nH]c2c(F)cc(Cl)cc12
InChIInChI=1S/C15H8ClF2NO3S/c16-8-5-11-14(12(18)6-8)19-7-13(15(11)20)23(21,22)10-3-1-9(17)2-4-10/h1-7H,(H,19,20)
InChIKeyZVLXATAZAKFSOM-UHFFFAOYSA-N
XLogP3.29
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one?
The IUPAC name of 6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one (CID 46507316) is 6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one is O=c1c(S(=O)(=O)c2ccc(F)cc2)c[nH]c2c(F)cc(Cl)cc12.
What is the InChIKey of 6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one?
The InChIKey is ZVLXATAZAKFSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2NO3S/c16-8-5-11-14(12(18)6-8)19-7-13(15(11)20)23(21,22)10-3-1-9(17)2-4-10/h1-7H,(H,19,20).
What are the key properties of 6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one?
6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one has a molecular weight of 355.75 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-fluoro-3-(4-fluorophenyl)sulfonyl-1H-quinolin-4-one is sourced from PubChem (CID 46507316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).