TL;DR: [(5E)-4-Oxo-5-{[5-(3-sulfamoylphenyl)-2-furyl]methylene}-2-t (CAS 1103723-11-0) is a chemical compound with molecular formula C16H12N2O6S3 and molecular weight 423.98575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5E)-4-oxo-5-[[5-(3-sulfamoylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: [(5E)-4-Oxo-5-{[5-(3-sulfamoylphenyl)-2-furyl]methylene}-2-t, [(5E)-4-oxo-5-{[5-(3-sulfamoylphenyl)furan-2-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]acetic acid, 2-(4-oxo-5-{[5-(3-sulfamoylphenyl)(2-furyl)]methylene}-2-thioxo-1,3-thiazolidi n-3-yl)acetic acid, 2-[(5E)-4-oxo-5-[[5-(3-sulfamoylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, 3-Thiazolidineacetic acid, 5-[[5-[3-(aminosulfonyl)phenyl]-2-furanyl]methylene]-4-oxo-2-thioxo-, (5E)-
| Molecular Formula | C16H12N2O6S3 |
| Molecular Weight | 423.98575 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 197.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.98575 Da |
| Heavy Atoms | 27 |
| Complexity | 776.0 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)N)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O |
| InChIKey | IDJCLODFTGHYAN-NTUHNPAUSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5E)-4-Oxo-5-{[5-(3-sulfamoylphenyl)-2-furyl]methylene}-2-t. The TPSA of 197.0 Ų indicates high polarity, suggesting [(5E)-4-Oxo-5-{[5-(3-sulfamoylphenyl)-2-furyl]methylene}-2-t may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(5E)-4-Oxo-5-{[5-(3-sulfamoylphenyl)-2-furyl]methylene}-2-t has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(5E)-4-Oxo-5-{[5-(3-sulfamoylphenyl)-2-furyl]methylene}-2-t is 1103723-11-0.
The molecular formula of [(5E)-4-Oxo-5-{[5-(3-sulfamoylphenyl)-2-furyl]methylene}-2-t is C16H12N2O6S3.
The molecular weight of [(5E)-4-Oxo-5-{[5-(3-sulfamoylphenyl)-2-furyl]methylene}-2-t is 423.98575 g/mol.
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