TL;DR: Methyl 2-[(4-ethoxyphenyl)sulfamoyl]benzoate (CAS 1286591-29-4) is a chemical compound with molecular formula C16H17NO5S and molecular weight 335.08273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(4-ethoxyphenyl)sulfamoyl]benzoate
Also Known As: methyl 2-[(4-ethoxyphenyl)sulfamoyl]benzoate, methyl 2-{[(4-ethoxyphenyl)amino]sulfonyl}benzoate, Methyl 2-(N-(4-ethoxyphenyl)sulfamoyl)benzoate, methyl2-[(4-ethoxyphenyl)sulfamoyl]benzoate
| Molecular Formula | C16H17NO5S |
| Molecular Weight | 335.08273 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 90.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.08273 Da |
| Heavy Atoms | 23 |
| Complexity | 479.0 |
| SMILES | CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2C(=O)OC |
| InChIKey | RVETWOJGPQENAU-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(4-ethoxyphenyl)sulfamoyl]benzoate. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(4-ethoxyphenyl)sulfamoyl]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(4-ethoxyphenyl)sulfamoyl]benzoate has 1 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 Methyl 2-[(4-ethoxyphenyl)sulfamoyl]benzoate is 1286591-29-4.
The molecular formula of Methyl 2-[(4-ethoxyphenyl)sulfamoyl]benzoate is C16H17NO5S.
The molecular weight of Methyl 2-[(4-ethoxyphenyl)sulfamoyl]benzoate is 335.08273 g/mol.
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