3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione

C11H10ClNO4S2 — CID 2820432

IUPAC3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO4S2/c12-8-1-3-9(4-2-8)19(16,17)6-5-13-10(14)7-18-11(13)15/h1-4H,5-7H2
InChIKeyNVJATTYIGHRAIY-UHFFFAOYSA-N
MW319.79 g/mol
LogP1.81
Rot. Bonds4

About 3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione

3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 2820432) has the molecular formula C11H10ClNO4S2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione
PubChem CID2820432
Molecular FormulaC11H10ClNO4S2
Molecular Weight319.79 g/mol
Exact Mass318.97
IUPAC Name3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO4S2/c12-8-1-3-9(4-2-8)19(16,17)6-5-13-10(14)7-18-11(13)15/h1-4H,5-7H2
InChIKeyNVJATTYIGHRAIY-UHFFFAOYSA-N
XLogP1.81
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione (CID 2820432) is 3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is NVJATTYIGHRAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4S2/c12-8-1-3-9(4-2-8)19(16,17)6-5-13-10(14)7-18-11(13)15/h1-4H,5-7H2.
What are the key properties of 3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione?
3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 319.79 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2820432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).