4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide

C9H7FN2O3S3 — CID 11695214

IUPAC4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide
SMILESO=C1CSC(=S)N1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H7FN2O3S3/c10-6-1-3-7(4-2-6)18(14,15)11-12-8(13)5-17-9(12)16/h1-4,11H,5H2
InChIKeyWXRPGVHDBVITMA-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.88
Rot. Bonds3

About 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide

4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide (PubChem CID 11695214) has the molecular formula C9H7FN2O3S3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide
PubChem CID11695214
Molecular FormulaC9H7FN2O3S3
Molecular Weight306.37 g/mol
Exact Mass305.96
IUPAC Name4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide
SMILESO=C1CSC(=S)N1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H7FN2O3S3/c10-6-1-3-7(4-2-6)18(14,15)11-12-8(13)5-17-9(12)16/h1-4,11H,5H2
InChIKeyWXRPGVHDBVITMA-UHFFFAOYSA-N
XLogP0.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide (CID 11695214) is 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide is O=C1CSC(=S)N1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide?
The InChIKey is WXRPGVHDBVITMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3S3/c10-6-1-3-7(4-2-6)18(14,15)11-12-8(13)5-17-9(12)16/h1-4,11H,5H2.
What are the key properties of 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide?
4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide has a molecular weight of 306.37 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 11695214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).