TL;DR: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide (CAS 701953-32-4) is a chemical compound with molecular formula C21H26FN3O5S2 and molecular weight 483.1298 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
Also Known As: AB01283272-01, N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide, N-[4-(azepan-1-ylsulfonyl)phenyl]-N~2~-(4-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
| Molecular Formula | C21H26FN3O5S2 |
| Molecular Weight | 483.1298 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.1298 Da |
| Heavy Atoms | 32 |
| Complexity | 816.0 |
| SMILES | CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC=C(C=C3)F |
| InChIKey | IUJVDSOMNGQFIC-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide. Following Lipinski's Rule of Five, N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide is 701953-32-4.
The molecular formula of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide is C21H26FN3O5S2.
The molecular weight of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide is 483.1298 g/mol.
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