TL;DR: 2-(3,4-Dichlorobenzenesulfonamido)-3-hydroxybutanoic acid (CAS 1009233-17-3) is a chemical compound with molecular formula C10H11Cl2NO5S and molecular weight 326.9735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
Also Known As: 2-(3,4-dichlorobenzenesulfonamido)-3-hydroxybutanoic acid, 2-{[(3,4-dichlorophenyl)sulfonyl]amino}-3-hydroxybutanoic acid, 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid, 2-([(3,4-dichlorophenyl)sulfonyl]amino)-3-hydroxybutanoic acid, 2-(3,4-dichlorobenzenesulfonamido)-3-hydroxybutanoicacid
| Molecular Formula | C10H11Cl2NO5S |
| Molecular Weight | 326.9735 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.9735 Da |
| Heavy Atoms | 19 |
| Complexity | 424.0 |
| SMILES | CC(C(C(=O)O)NS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl)O |
| InChIKey | PJGCWKMZBLUPLO-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dichlorobenzenesulfonamido)-3-hydroxybutanoic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dichlorobenzenesulfonamido)-3-hydroxybutanoic acid. Following Lipinski's Rule of Five, 2-(3,4-Dichlorobenzenesulfonamido)-3-hydroxybutanoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3,4-Dichlorobenzenesulfonamido)-3-hydroxybutanoic acid is 1009233-17-3.
The molecular formula of 2-(3,4-Dichlorobenzenesulfonamido)-3-hydroxybutanoic acid is C10H11Cl2NO5S.
The molecular weight of 2-(3,4-Dichlorobenzenesulfonamido)-3-hydroxybutanoic acid is 326.9735 g/mol.
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