3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid

C12H14FNO4S2 — CID 63780240

IUPAC3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2C(C)SCC2C(=O)O)cc1F
InChIInChI=1S/C12H14FNO4S2/c1-7-3-4-9(5-10(7)13)20(17,18)14-8(2)19-6-11(14)12(15)16/h3-5,8,11H,6H2,1-2H3,(H,15,16)
InChIKeyMONJKODCPKHWIY-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.67
Rot. Bonds3

About 3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780240) has the molecular formula C12H14FNO4S2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780240
Molecular FormulaC12H14FNO4S2
Molecular Weight319.38 g/mol
Exact Mass319.03
IUPAC Name3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2C(C)SCC2C(=O)O)cc1F
InChIInChI=1S/C12H14FNO4S2/c1-7-3-4-9(5-10(7)13)20(17,18)14-8(2)19-6-11(14)12(15)16/h3-5,8,11H,6H2,1-2H3,(H,15,16)
InChIKeyMONJKODCPKHWIY-UHFFFAOYSA-N
XLogP1.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63780240) is 3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is Cc1ccc(S(=O)(=O)N2C(C)SCC2C(=O)O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MONJKODCPKHWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S2/c1-7-3-4-9(5-10(7)13)20(17,18)14-8(2)19-6-11(14)12(15)16/h3-5,8,11H,6H2,1-2H3,(H,15,16).
What are the key properties of 3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 319.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).