3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one

C17H14FNO3S — CID 22425158

IUPAC3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)c(F)c3)c(=O)c2c1
InChIInChI=1S/C17H14FNO3S/c1-10-3-6-15-13(7-10)17(20)16(9-19-15)23(21,22)12-5-4-11(2)14(18)8-12/h3-9H,1-2H3,(H,19,20)
InChIKeyRWTQSOCIGVOJGG-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.12
Rot. Bonds2

About 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one

3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one (PubChem CID 22425158) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one
PubChem CID22425158
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC Name3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)c(F)c3)c(=O)c2c1
InChIInChI=1S/C17H14FNO3S/c1-10-3-6-15-13(7-10)17(20)16(9-19-15)23(21,22)12-5-4-11(2)14(18)8-12/h3-9H,1-2H3,(H,19,20)
InChIKeyRWTQSOCIGVOJGG-UHFFFAOYSA-N
XLogP3.12
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one (CID 22425158) is 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one is Cc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)c(F)c3)c(=O)c2c1.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
The InChIKey is RWTQSOCIGVOJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c1-10-3-6-15-13(7-10)17(20)16(9-19-15)23(21,22)12-5-4-11(2)14(18)8-12/h3-9H,1-2H3,(H,19,20).
What are the key properties of 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one has a molecular weight of 331.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 22425158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).