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

C22H16F3NO3S2 — CID 25069515

IUPAC3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H16F3NO3S2/c23-22(24,25)16-6-4-5-15(13-16)21-26(20(27)14-30-21)17-9-11-19(12-10-17)31(28,29)18-7-2-1-3-8-18/h1-13,21H,14H2
InChIKeyDHEQXEJVIDUPQZ-UHFFFAOYSA-N
MW463.50 g/mol
LogP5.32
Rot. Bonds4

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

3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 25069515) has the molecular formula C22H16F3NO3S2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID25069515
Molecular FormulaC22H16F3NO3S2
Molecular Weight463.50 g/mol
Exact Mass463.05
IUPAC Name3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H16F3NO3S2/c23-22(24,25)16-6-4-5-15(13-16)21-26(20(27)14-30-21)17-9-11-19(12-10-17)31(28,29)18-7-2-1-3-8-18/h1-13,21H,14H2
InChIKeyDHEQXEJVIDUPQZ-UHFFFAOYSA-N
XLogP5.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 25071743
3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 5194516
2-(3-phenoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 4220193
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3865771
N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 1275973
(2S)-2-phenyl-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one
CID 139070224
2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 5233456
4-methyl-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125424
2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 42803978
N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 93124944
(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6935175

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 25069515) is 3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is DHEQXEJVIDUPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO3S2/c23-22(24,25)16-6-4-5-15(13-16)21-26(20(27)14-30-21)17-9-11-19(12-10-17)31(28,29)18-7-2-1-3-8-18/h1-13,21H,14H2.
What are the key properties of 3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 463.50 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 25069515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).