TL;DR: 4-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic Acid (CAS 1013618-66-0) is a chemical compound with molecular formula C15H15NO6S and molecular weight 337.062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid
Also Known As: 4-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic Acid, 4-(3,4-dimethoxyphenylsulfonamido)benzoic acid, 4-(3,4-dimethoxybenzenesulfonamido)benzoic acid, AP-263/42698487, 4-{[(3,4-dimethoxyphenyl)sulfonyl]amino}benzoic acid
| Molecular Formula | C15H15NO6S |
| Molecular Weight | 337.062 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.062 Da |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)OC |
| InChIKey | PSQZVJVFKHDQBQ-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic Acid. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic Acid. Following Lipinski's Rule of Five, 4-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic Acid has 2 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 4-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic Acid is 1013618-66-0.
The molecular formula of 4-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic Acid is C15H15NO6S.
The molecular weight of 4-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic Acid is 337.062 g/mol.
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