TL;DR: Ethyl 3-[(4-bromophenyl)sulfonylamino]propanoate (CAS 1024464-35-4) is a chemical compound with molecular formula C11H14BrNO4S and molecular weight 334.9827 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[(4-bromophenyl)sulfonylamino]propanoate
Also Known As: ethyl 3-(4-bromophenylsulfonamido)propanoate, Ethyl 3-[(4-bromophenyl)sulfonylamino]propanoate, Ethyl 3-((4-bromophenyl)sulfonamido)propanoate, A1-20009
| Molecular Formula | C11H14BrNO4S |
| Molecular Weight | 334.9827 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.9827 Da |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
| SMILES | CCOC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Br |
| InChIKey | LEVVJIGRHKHIFD-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(4-bromophenyl)sulfonylamino]propanoate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(4-bromophenyl)sulfonylamino]propanoate. Following Lipinski's Rule of Five, Ethyl 3-[(4-bromophenyl)sulfonylamino]propanoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl 3-[(4-bromophenyl)sulfonylamino]propanoate is 1024464-35-4.
The molecular formula of Ethyl 3-[(4-bromophenyl)sulfonylamino]propanoate is C11H14BrNO4S.
The molecular weight of Ethyl 3-[(4-bromophenyl)sulfonylamino]propanoate is 334.9827 g/mol.
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