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

C11H12ClNO4S2 — CID 2821246

IUPACmethyl 3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carboxylate
SMILESCOC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO4S2/c1-17-11(14)10-13(6-7-18-10)19(15,16)9-4-2-8(12)3-5-9/h2-5,10H,6-7H2,1H3
InChIKeyYQPUZYVCMAJOPL-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.58
Rot. Bonds3

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

methyl 3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carboxylate (PubChem CID 2821246) has the molecular formula C11H12ClNO4S2 and a molecular weight of 321.81 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carboxylate
PubChem CID2821246
Molecular FormulaC11H12ClNO4S2
Molecular Weight321.81 g/mol
Exact Mass320.99
IUPAC Namemethyl 3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carboxylate
SMILESCOC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO4S2/c1-17-11(14)10-13(6-7-18-10)19(15,16)9-4-2-8(12)3-5-9/h2-5,10H,6-7H2,1H3
InChIKeyYQPUZYVCMAJOPL-UHFFFAOYSA-N
XLogP1.58
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carboxylate?
The IUPAC name of methyl 3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carboxylate (CID 2821246) is methyl 3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carboxylate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carboxylate?
The canonical SMILES for methyl 3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carboxylate is COC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carboxylate?
The InChIKey is YQPUZYVCMAJOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S2/c1-17-11(14)10-13(6-7-18-10)19(15,16)9-4-2-8(12)3-5-9/h2-5,10H,6-7H2,1H3.
What are the key properties of methyl 3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carboxylate?
methyl 3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carboxylate has a molecular weight of 321.81 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carboxylate is sourced from PubChem (CID 2821246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).