TL;DR: 5-(2-Naphthalenylsulfonyl)-2,4-thiazolidinedione (CAS 125518-46-9) is a chemical compound with molecular formula C13H9NO4S2 and molecular weight 306.9973 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2,4-dione
Also Known As: 5-(2-Naphthalenylsulfonyl)-2,4-thiazolidinedione, AY 31637, 5-(2-Naphthylsulfonyl)-2,4-thiazolidinedione, 2,4-Thiazolidinedione, 5-(2-naphthalenylsulfonyl)-, 5-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2,4-dione
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H9NO4S2 |
| Molecular Weight | 306.9973 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.9973 Da |
| Heavy Atoms | 20 |
| Complexity | 525.0 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3C(=O)NC(=O)S3 |
| InChIKey | ITLAZBMGSXRIEF-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Naphthalenylsulfonyl)-2,4-thiazolidinedione. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Naphthalenylsulfonyl)-2,4-thiazolidinedione. Following Lipinski's Rule of Five, 5-(2-Naphthalenylsulfonyl)-2,4-thiazolidinedione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-(2-Naphthalenylsulfonyl)-2,4-thiazolidinedione is 125518-46-9.
The molecular formula of 5-(2-Naphthalenylsulfonyl)-2,4-thiazolidinedione is C13H9NO4S2.
The molecular weight of 5-(2-Naphthalenylsulfonyl)-2,4-thiazolidinedione is 306.9973 g/mol.
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