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

C11H12ClNO4S2 — CID 63780237

IUPAC3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO4S2/c1-7-13(10(6-18-7)11(14)15)19(16,17)9-4-2-3-8(12)5-9/h2-5,7,10H,6H2,1H3,(H,14,15)
InChIKeySLTWBWAEHRBARU-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.88
Rot. Bonds3

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

3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780237) has the molecular formula C11H12ClNO4S2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780237
Molecular FormulaC11H12ClNO4S2
Molecular Weight321.81 g/mol
Exact Mass320.99
IUPAC Name3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO4S2/c1-7-13(10(6-18-7)11(14)15)19(16,17)9-4-2-3-8(12)5-9/h2-5,7,10H,6H2,1H3,(H,14,15)
InChIKeySLTWBWAEHRBARU-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63780237) is 3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SLTWBWAEHRBARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S2/c1-7-13(10(6-18-7)11(14)15)19(16,17)9-4-2-3-8(12)5-9/h2-5,7,10H,6H2,1H3,(H,14,15).
What are the key properties of 3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-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-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).