TL;DR: (E)-3-{3-[(2-Hydroxy-ethyl)-methyl-sulfamoyl]-4-methyl-phenyl}-acrylic acid (CAS 1164509-07-2) is a chemical compound with molecular formula C13H17NO5S and molecular weight 299.08273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[3-[2-hydroxyethyl(methyl)sulfamoyl]-4-methylphenyl]prop-2-enoic acid
Also Known As: (E)-3-(3-(N-(2-hydroxyethyl)-N-methylsulfamoyl)-4-methylphenyl)acrylic acid, (E)-3-[3-[2-hydroxyethyl(methyl)sulfamoyl]-4-methylphenyl]prop-2-enoic acid, (E)-3-{3-[(2-Hydroxy-ethyl)-methyl-sulfamoyl]-4-methyl-phenyl}-acrylic acid
| Molecular Formula | C13H17NO5S |
| Molecular Weight | 299.08273 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.08273 Da |
| Heavy Atoms | 20 |
| Complexity | 454.0 |
| SMILES | CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N(C)CCO |
| InChIKey | MNUHDRSCIAYZCR-AATRIKPKSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-{3-[(2-Hydroxy-ethyl)-methyl-sulfamoyl]-4-methyl-phenyl}-acrylic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-{3-[(2-Hydroxy-ethyl)-methyl-sulfamoyl]-4-methyl-phenyl}-acrylic acid. Following Lipinski's Rule of Five, (E)-3-{3-[(2-Hydroxy-ethyl)-methyl-sulfamoyl]-4-methyl-phenyl}-acrylic acid has 2 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 (E)-3-{3-[(2-Hydroxy-ethyl)-methyl-sulfamoyl]-4-methyl-phenyl}-acrylic acid is 1164509-07-2.
The molecular formula of (E)-3-{3-[(2-Hydroxy-ethyl)-methyl-sulfamoyl]-4-methyl-phenyl}-acrylic acid is C13H17NO5S.
The molecular weight of (E)-3-{3-[(2-Hydroxy-ethyl)-methyl-sulfamoyl]-4-methyl-phenyl}-acrylic acid is 299.08273 g/mol.
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