3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione

C11H11NO4S2 — CID 3303685

IUPAC3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11NO4S2/c13-10-8-17-11(14)12(10)6-7-18(15,16)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyWRPGZZRFEJBQDJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.16
Rot. Bonds4

About 3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione

3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 3303685) has the molecular formula C11H11NO4S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione
PubChem CID3303685
Molecular FormulaC11H11NO4S2
Molecular Weight285.35 g/mol
Exact Mass285.01
IUPAC Name3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11NO4S2/c13-10-8-17-11(14)12(10)6-7-18(15,16)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyWRPGZZRFEJBQDJ-UHFFFAOYSA-N
XLogP1.16
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.16
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-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione (CID 3303685) is 3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is WRPGZZRFEJBQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S2/c13-10-8-17-11(14)12(10)6-7-18(15,16)9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione?
3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 285.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3303685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).