2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one

C22H16FNO3S — CID 132530833

IUPAC2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one
SMILESCc1ccc(S(=O)(=O)c2c(-c3ccc(F)cc3)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C22H16FNO3S/c1-14-6-12-17(13-7-14)28(26,27)22-20(15-8-10-16(23)11-9-15)24-19-5-3-2-4-18(19)21(22)25/h2-13H,1H3,(H,24,25)
InChIKeyBJVUONKYVQSOKJ-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.48
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one

2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one (PubChem CID 132530833) has the molecular formula C22H16FNO3S and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one
PubChem CID132530833
Molecular FormulaC22H16FNO3S
Molecular Weight393.44 g/mol
Exact Mass393.08
IUPAC Name2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one
SMILESCc1ccc(S(=O)(=O)c2c(-c3ccc(F)cc3)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C22H16FNO3S/c1-14-6-12-17(13-7-14)28(26,27)22-20(15-8-10-16(23)11-9-15)24-19-5-3-2-4-18(19)21(22)25/h2-13H,1H3,(H,24,25)
InChIKeyBJVUONKYVQSOKJ-UHFFFAOYSA-N
XLogP4.48
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one (CID 132530833) is 2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one is Cc1ccc(S(=O)(=O)c2c(-c3ccc(F)cc3)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one?
The InChIKey is BJVUONKYVQSOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO3S/c1-14-6-12-17(13-7-14)28(26,27)22-20(15-8-10-16(23)11-9-15)24-19-5-3-2-4-18(19)21(22)25/h2-13H,1H3,(H,24,25).
What are the key properties of 2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one?
2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one has a molecular weight of 393.44 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one is sourced from PubChem (CID 132530833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).