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

C11H12ClNO4S2 — CID 63782024

IUPAC3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H12ClNO4S2/c1-7-13(9(6-18-7)11(14)15)19(16,17)10-5-3-2-4-8(10)12/h2-5,7,9H,6H2,1H3,(H,14,15)
InChIKeyGVUBWFLVCXSGPG-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.88
Rot. Bonds3

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

3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63782024) has the molecular formula C11H12ClNO4S2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63782024
Molecular FormulaC11H12ClNO4S2
Molecular Weight321.81 g/mol
Exact Mass320.99
IUPAC Name3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H12ClNO4S2/c1-7-13(9(6-18-7)11(14)15)19(16,17)10-5-3-2-4-8(10)12/h2-5,7,9H,6H2,1H3,(H,14,15)
InChIKeyGVUBWFLVCXSGPG-UHFFFAOYSA-N
XLogP1.88
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779887
3-(2-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779714
3-(3,4-dichlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780418
3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780237
3-[(2-cyano-3-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106593325
3-(2-bromo-4-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780948
2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 55235914
3-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 80577331
2-methyl-3-(2-phenylethenylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 77006564
2-methyl-3-(2,4,6-trifluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781850
3-[benzyl(methyl)sulfamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63782020
3-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103298803

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63782024) is 3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GVUBWFLVCXSGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S2/c1-7-13(9(6-18-7)11(14)15)19(16,17)10-5-3-2-4-8(10)12/h2-5,7,9H,6H2,1H3,(H,14,15).
What are the key properties of 3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 321.81 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63782024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).