3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid

C11H9F4NO4S2 — CID 18801400

IUPAC3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C(F)(F)F)N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H9F4NO4S2/c12-6-1-3-7(4-2-6)22(19,20)16-8(9(17)18)5-21-10(16)11(13,14)15/h1-4,8,10H,5H2,(H,17,18)
InChIKeyZRJMGIVUJYITOJ-UHFFFAOYSA-N
MW359.32 g/mol
LogP1.90
Rot. Bonds3

About 3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid

3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 18801400) has the molecular formula C11H9F4NO4S2 and a molecular weight of 359.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID18801400
Molecular FormulaC11H9F4NO4S2
Molecular Weight359.32 g/mol
Exact Mass358.99
IUPAC Name3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C(F)(F)F)N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H9F4NO4S2/c12-6-1-3-7(4-2-6)22(19,20)16-8(9(17)18)5-21-10(16)11(13,14)15/h1-4,8,10H,5H2,(H,17,18)
InChIKeyZRJMGIVUJYITOJ-UHFFFAOYSA-N
XLogP1.90
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid (CID 18801400) is 3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C(F)(F)F)N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZRJMGIVUJYITOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO4S2/c12-6-1-3-7(4-2-6)22(19,20)16-8(9(17)18)5-21-10(16)11(13,14)15/h1-4,8,10H,5H2,(H,17,18).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid?
3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 359.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 18801400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).