3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one

C16H10ClF2NO3S — CID 53337139

IUPAC3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one
SMILESCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C16H10ClF2NO3S/c1-20-8-15(24(22,23)10-4-2-3-9(17)5-10)16(21)11-6-12(18)13(19)7-14(11)20/h2-8H,1H3
InChIKeyQBLAAQSFZXSWHD-UHFFFAOYSA-N
MW369.78 g/mol
LogP3.30
Rot. Bonds2

About 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one

3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one (PubChem CID 53337139) has the molecular formula C16H10ClF2NO3S and a molecular weight of 369.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one
PubChem CID53337139
Molecular FormulaC16H10ClF2NO3S
Molecular Weight369.78 g/mol
Exact Mass369.00
IUPAC Name3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one
SMILESCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C16H10ClF2NO3S/c1-20-8-15(24(22,23)10-4-2-3-9(17)5-10)16(21)11-6-12(18)13(19)7-14(11)20/h2-8H,1H3
InChIKeyQBLAAQSFZXSWHD-UHFFFAOYSA-N
XLogP3.30
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one
CID 53337143
3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one
CID 53337141
3-(3-chlorophenyl)sulfonyl-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1-methylquinolin-4-one
CID 20905279
3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one
CID 20905298
1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-piperidin-1-ylquinolin-4-one
CID 20905303
1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 20905309
3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one
CID 20905323
3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-morpholin-4-ylquinolin-4-one
CID 20905324
6,7-difluoro-1-[(3-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 18559374
1-ethyl-3-(4-ethylphenyl)sulfonyl-6,7-difluoroquinolin-4-one
CID 20874603
1-[(3-chlorophenyl)methyl]-6-fluoro-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874581
3-(4-chlorophenyl)sulfonyl-1-ethyl-6-fluoroquinolin-4-one
CID 20874612

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one (CID 53337139) is 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one is Cn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(F)cc21.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one?
The InChIKey is QBLAAQSFZXSWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NO3S/c1-20-8-15(24(22,23)10-4-2-3-9(17)5-10)16(21)11-6-12(18)13(19)7-14(11)20/h2-8H,1H3.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one?
3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one has a molecular weight of 369.78 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one is sourced from PubChem (CID 53337139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).