TL;DR: 4-methyl-N-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]benzenesulfonamide (CAS 3808-20-6) is a chemical compound with molecular formula C21H16N2O4S and molecular weight 392.08307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-N-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]benzenesulfonamide
Also Known As: 4-methyl-N-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]benzenesulfonamide, Benzenesulfonamide, 4-methyl-N-(2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl)-, 4-methyl-n-[2-(4-oxo-4h-1,3-benzoxazin-2-yl)phenyl]benzenesulfonamide, N-(2-(4-Oxo-4H-3,1-benzoxazin-2-yl)phenyl)-p-toluenesulphonamide, 4-Methyl-N-(2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl)benzenesulfonamide
| Molecular Formula | C21H16N2O4S |
| Molecular Weight | 392.08307 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.08307 Da |
| Heavy Atoms | 28 |
| Complexity | 706.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=NC(=O)C4=CC=CC=C4O3 |
| InChIKey | LLJQYLKNKHDIOP-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 4-methyl-N-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]benzenesulfonamide. Following Lipinski's Rule of Five, 4-methyl-N-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]benzenesulfonamide 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 4-methyl-N-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]benzenesulfonamide is 3808-20-6.
The molecular formula of 4-methyl-N-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]benzenesulfonamide is C21H16N2O4S.
The molecular weight of 4-methyl-N-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]benzenesulfonamide is 392.08307 g/mol.
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