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

C9H8N2O3S3 — CID 1382812

IUPAC4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CSC2=S)cc1
InChIInChI=1S/C9H8N2O3S3/c10-17(13,14)7-3-1-6(2-4-7)11-8(12)5-16-9(11)15/h1-4H,5H2,(H2,10,13,14)
InChIKeyJMUYSWYGISXWPY-UHFFFAOYSA-N
MW288.38 g/mol
LogP0.70
Rot. Bonds2

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

4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide (PubChem CID 1382812) has the molecular formula C9H8N2O3S3 and a molecular weight of 288.38 g/mol. Its IUPAC name is 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide
PubChem CID1382812
Molecular FormulaC9H8N2O3S3
Molecular Weight288.38 g/mol
Exact Mass287.97
IUPAC Name4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CSC2=S)cc1
InChIInChI=1S/C9H8N2O3S3/c10-17(13,14)7-3-1-6(2-4-7)11-8(12)5-16-9(11)15/h1-4H,5H2,(H2,10,13,14)
InChIKeyJMUYSWYGISXWPY-UHFFFAOYSA-N
XLogP0.70
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 50.70
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'}

Analyze 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide (CID 1382812) is 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)CSC2=S)cc1.
What is the InChIKey of 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide?
The InChIKey is JMUYSWYGISXWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S3/c10-17(13,14)7-3-1-6(2-4-7)11-8(12)5-16-9(11)15/h1-4H,5H2,(H2,10,13,14).
What are the key properties of 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide?
4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide has a molecular weight of 288.38 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 1382812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).