3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C17H15F3N2O3S2 — CID 70682750

IUPAC3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(NN2C(=O)CSC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3N2O3S2/c1-27(24,25)14-8-6-13(7-9-14)21-22-15(23)10-26-16(22)11-2-4-12(5-3-11)17(18,19)20/h2-9,16,21H,10H2,1H3
InChIKeyMLWJETUPDUDOTM-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.71
Rot. Bonds4

About 3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 70682750) has the molecular formula C17H15F3N2O3S2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID70682750
Molecular FormulaC17H15F3N2O3S2
Molecular Weight416.45 g/mol
Exact Mass416.05
IUPAC Name3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(NN2C(=O)CSC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3N2O3S2/c1-27(24,25)14-8-6-13(7-9-14)21-22-15(23)10-26-16(22)11-2-4-12(5-3-11)17(18,19)20/h2-9,16,21H,10H2,1H3
InChIKeyMLWJETUPDUDOTM-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 70682750) is 3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is CS(=O)(=O)c1ccc(NN2C(=O)CSC2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is MLWJETUPDUDOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S2/c1-27(24,25)14-8-6-13(7-9-14)21-22-15(23)10-26-16(22)11-2-4-12(5-3-11)17(18,19)20/h2-9,16,21H,10H2,1H3.
What are the key properties of 3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 416.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 70682750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).