3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one

C16H14FNO3S2 — CID 10405693

IUPAC3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(C2SCC(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO3S2/c1-23(20,21)14-8-2-11(3-9-14)16-18(15(19)10-22-16)13-6-4-12(17)5-7-13/h2-9,16H,10H2,1H3
InChIKeyLONXUDVWONZAOP-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.01
Rot. Bonds3

About 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one

3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one (PubChem CID 10405693) has the molecular formula C16H14FNO3S2 and a molecular weight of 351.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one
PubChem CID10405693
Molecular FormulaC16H14FNO3S2
Molecular Weight351.42 g/mol
Exact Mass351.04
IUPAC Name3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(C2SCC(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO3S2/c1-23(20,21)14-8-2-11(3-9-14)16-18(15(19)10-22-16)13-6-4-12(17)5-7-13/h2-9,16H,10H2,1H3
InChIKeyLONXUDVWONZAOP-UHFFFAOYSA-N
XLogP3.01
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Diphenyl-4-thiazolidinone
CID 98327
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
1-(2,3-Dihydro-indol-1-yl)-2-p-tolylsulfanyl-ethanone
CID 738380
3-(2-Fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 4245289
3-(2,4-Difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
3-(2-Fluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129447
1-(2,3-Dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
CID 759092
1-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3-phenyl-1,5-dihydro-pyrrol-2-one
CID 10001441
1-(2-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3-phenyl-1,5-dihydro-pyrrol-2-one
CID 10319221
2-(4-(Methylsulfonyl)phenyl)-3-phenylthiazolidin-4-one
CID 10359484
3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-1-phenyl-1,5-dihydro-pyrrol-2-one
CID 44293785
3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-1-phenyl-1,5-dihydro-pyrrol-2-one
CID 44293798

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one (CID 10405693) is 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one is CS(=O)(=O)c1ccc(C2SCC(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is LONXUDVWONZAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3S2/c1-23(20,21)14-8-2-11(3-9-14)16-18(15(19)10-22-16)13-6-4-12(17)5-7-13/h2-9,16H,10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one?
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 351.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10405693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).