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

C12H14FNO5S2 — CID 63780776

IUPAC3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2C(C)SCC2C(=O)O)cc1F
InChIInChI=1S/C12H14FNO5S2/c1-7-14(10(6-20-7)12(15)16)21(17,18)8-3-4-11(19-2)9(13)5-8/h3-5,7,10H,6H2,1-2H3,(H,15,16)
InChIKeyVZIQFUIQDMGFHU-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.37
Rot. Bonds4

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

3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780776) has the molecular formula C12H14FNO5S2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780776
Molecular FormulaC12H14FNO5S2
Molecular Weight335.38 g/mol
Exact Mass335.03
IUPAC Name3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2C(C)SCC2C(=O)O)cc1F
InChIInChI=1S/C12H14FNO5S2/c1-7-14(10(6-20-7)12(15)16)21(17,18)8-3-4-11(19-2)9(13)5-8/h3-5,7,10H,6H2,1-2H3,(H,15,16)
InChIKeyVZIQFUIQDMGFHU-UHFFFAOYSA-N
XLogP1.37
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63780776) is 3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is COc1ccc(S(=O)(=O)N2C(C)SCC2C(=O)O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VZIQFUIQDMGFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO5S2/c1-7-14(10(6-20-7)12(15)16)21(17,18)8-3-4-11(19-2)9(13)5-8/h3-5,7,10H,6H2,1-2H3,(H,15,16).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 335.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).