TL;DR: 3-[Bis(2-hydroxyethyl)sulfamoyl]benzoic acid (CAS 6628-11-1) is a chemical compound with molecular formula C11H15NO6S and molecular weight 289.062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[bis(2-hydroxyethyl)sulfamoyl]benzoic acid
Also Known As: 3-[bis(2-hydroxyethyl)sulfamoyl]benzoic acid, NCIOpen2_002432, BIM-0037075.P001, N,N-BIS(2-HYDROXYETHYL)-3-CARBOXYBENZENESULFONAMIDE, 3-{[bis(2-hydroxyethyl)amino]sulfonyl}benzoic acid
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H15NO6S |
| Molecular Weight | 289.062 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.062 Da |
| Heavy Atoms | 19 |
| Complexity | 384.0 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)N(CCO)CCO)C(=O)O |
| InChIKey | VSAROEOXRAJEFU-UHFFFAOYSA-N |
The XLogP value of -0.8 indicates that 3-[Bis(2-hydroxyethyl)sulfamoyl]benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[Bis(2-hydroxyethyl)sulfamoyl]benzoic acid. Following Lipinski's Rule of Five, 3-[Bis(2-hydroxyethyl)sulfamoyl]benzoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[Bis(2-hydroxyethyl)sulfamoyl]benzoic acid is 6628-11-1.
The molecular formula of 3-[Bis(2-hydroxyethyl)sulfamoyl]benzoic acid is C11H15NO6S.
The molecular weight of 3-[Bis(2-hydroxyethyl)sulfamoyl]benzoic acid is 289.062 g/mol.
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