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

C16H10ClF2NO3S — CID 53337143

IUPAC3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one
SMILESCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C16H10ClF2NO3S/c1-20-8-15(24(22,23)10-4-2-9(17)3-5-10)16(21)11-6-12(18)13(19)7-14(11)20/h2-8H,1H3
InChIKeyGBBYMJOAECCOBD-UHFFFAOYSA-N
MW369.78 g/mol
LogP3.30
Rot. Bonds2

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

3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one (PubChem CID 53337143) has the molecular formula C16H10ClF2NO3S and a molecular weight of 369.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one
PubChem CID53337143
Molecular FormulaC16H10ClF2NO3S
Molecular Weight369.78 g/mol
Exact Mass369.00
IUPAC Name3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one
SMILESCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C16H10ClF2NO3S/c1-20-8-15(24(22,23)10-4-2-9(17)3-5-10)16(21)11-6-12(18)13(19)7-14(11)20/h2-8H,1H3
InChIKeyGBBYMJOAECCOBD-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one (CID 53337143) is 3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one is Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)c(F)cc21.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one?
The InChIKey is GBBYMJOAECCOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NO3S/c1-20-8-15(24(22,23)10-4-2-9(17)3-5-10)16(21)11-6-12(18)13(19)7-14(11)20/h2-8H,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one?
3-(4-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-(4-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one is sourced from PubChem (CID 53337143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).