TL;DR: (2S)-2-(2-Fluorobenzenesulfonamido)-3-phenylpropanoic acid (CAS 1009227-82-0) is a chemical compound with molecular formula C15H14FNO4S and molecular weight 323.06274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid
Also Known As: (2S)-2-(2-Fluorobenzenesulfonamido)-3-phenylpropanoic acid, ((2-fluorophenyl)sulfonyl)phenylalanine, (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid, (2S)-2-{[(2-fluorophenyl)sulfonyl]amino}-3-phenylpropanoic acid, (2S)-2-(2-Fluorobenzenesulfonamido)-3-phenylpropanoicacid
| Molecular Formula | C15H14FNO4S |
| Molecular Weight | 323.06274 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.06274 Da |
| Heavy Atoms | 22 |
| Complexity | 470.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)NS(=O)(=O)C2=CC=CC=C2F |
| InChIKey | KTMGPIGNLAPLER-ZDUSSCGKSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(2-Fluorobenzenesulfonamido)-3-phenylpropanoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(2-Fluorobenzenesulfonamido)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, (2S)-2-(2-Fluorobenzenesulfonamido)-3-phenylpropanoic 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 (2S)-2-(2-Fluorobenzenesulfonamido)-3-phenylpropanoic acid is 1009227-82-0.
The molecular formula of (2S)-2-(2-Fluorobenzenesulfonamido)-3-phenylpropanoic acid is C15H14FNO4S.
The molecular weight of (2S)-2-(2-Fluorobenzenesulfonamido)-3-phenylpropanoic acid is 323.06274 g/mol.
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