5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione

C9H6FNO4S2 — CID 10516511

IUPAC5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(S(=O)(=O)c2ccc(F)cc2)S1
InChIInChI=1S/C9H6FNO4S2/c10-5-1-3-6(4-2-5)17(14,15)8-7(12)11-9(13)16-8/h1-4,8H,(H,11,12,13)
InChIKeyGZJVMBLYKNJNRE-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.91
Rot. Bonds2

About 5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione

5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione (PubChem CID 10516511) has the molecular formula C9H6FNO4S2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione
PubChem CID10516511
Molecular FormulaC9H6FNO4S2
Molecular Weight275.28 g/mol
Exact Mass274.97
IUPAC Name5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(S(=O)(=O)c2ccc(F)cc2)S1
InChIInChI=1S/C9H6FNO4S2/c10-5-1-3-6(4-2-5)17(14,15)8-7(12)11-9(13)16-8/h1-4,8H,(H,11,12,13)
InChIKeyGZJVMBLYKNJNRE-UHFFFAOYSA-N
XLogP0.91
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
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 5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione (CID 10516511) is 5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(S(=O)(=O)c2ccc(F)cc2)S1.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione?
The InChIKey is GZJVMBLYKNJNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO4S2/c10-5-1-3-6(4-2-5)17(14,15)8-7(12)11-9(13)16-8/h1-4,8H,(H,11,12,13).
What are the key properties of 5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione?
5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione has a molecular weight of 275.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10516511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).