TL;DR: 1-[(2,4,5-Trichlorophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid (CAS 251097-12-8) is a chemical compound with molecular formula C11H10Cl3NO4S and molecular weight 356.9396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
Also Known As: 1-[(2,4,5-trichlorophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid, 1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic Acid, 10G-456S, 1-(2,4,5-trichlorobenzenesulfonyl)pyrrolidine-2-carboxylic acid, 1-[(2,4,5-trichlorophenyl)sulfonyl]-2- pyrrolidine carboxylic acid
| Molecular Formula | C11H10Cl3NO4S |
| Molecular Weight | 356.9396 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.9396 Da |
| Heavy Atoms | 20 |
| Complexity | 481.0 |
| SMILES | C1CC(N(C1)S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)C(=O)O |
| InChIKey | WAAHPRDFNUTCLD-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1-[(2,4,5-Trichlorophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2,4,5-Trichlorophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid. Following Lipinski's Rule of Five, 1-[(2,4,5-Trichlorophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid 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 1-[(2,4,5-Trichlorophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid is 251097-12-8.
The molecular formula of 1-[(2,4,5-Trichlorophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid is C11H10Cl3NO4S.
The molecular weight of 1-[(2,4,5-Trichlorophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid is 356.9396 g/mol.
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