1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol

C10H10F3NO4S2 — CID 67792609

IUPAC1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol
SMILESO=S1CN(c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1O
InChIInChI=1S/C10H10F3NO4S2/c11-10(12,13)20(17,18)8-3-1-2-7(4-8)14-5-9(15)19(16)6-14/h1-4,9,15H,5-6H2
InChIKeySEVMBLVFFYOWPO-UHFFFAOYSA-N
MW329.32 g/mol
LogP0.82
Rot. Bonds2

About 1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol

1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol (PubChem CID 67792609) has the molecular formula C10H10F3NO4S2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol.

Molecular Properties

Compound Name1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol
PubChem CID67792609
Molecular FormulaC10H10F3NO4S2
Molecular Weight329.32 g/mol
Exact Mass329.00
IUPAC Name1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol
SMILESO=S1CN(c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1O
InChIInChI=1S/C10H10F3NO4S2/c11-10(12,13)20(17,18)8-3-1-2-7(4-8)14-5-9(15)19(16)6-14/h1-4,9,15H,5-6H2
InChIKeySEVMBLVFFYOWPO-UHFFFAOYSA-N
XLogP0.82
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol?
The IUPAC name of 1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol (CID 67792609) is 1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol.
What is the SMILES notation for 1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol?
The canonical SMILES for 1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol is O=S1CN(c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1O.
What is the InChIKey of 1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol?
The InChIKey is SEVMBLVFFYOWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S2/c11-10(12,13)20(17,18)8-3-1-2-7(4-8)14-5-9(15)19(16)6-14/h1-4,9,15H,5-6H2.
What are the key properties of 1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol?
1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol has a molecular weight of 329.32 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol is sourced from PubChem (CID 67792609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).