TL;DR: 4-Methyl-N-(2-oxo-3-azepanyl)benzenesulfonamide (CAS 132130-13-3) is a chemical compound with molecular formula C13H18N2O3S and molecular weight 282.10382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-N-(2-oxoazepan-3-yl)benzenesulfonamide
Also Known As: 4-methyl-N-(2-oxoazepan-3-yl)benzenesulfonamide, 4-METHYL-N-(2-OXO-3-AZEPANYL)BENZENESULFONAMIDE, SALOR-INT L173320-1EA, 4-methyl-N-(2-oxoazepan-3-yl)benzene-1-sulfonamide, N-(2-Oxoazepan-3-yl)-4-methylbenzenesulfonamide
| Molecular Formula | C13H18N2O3S |
| Molecular Weight | 282.10382 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.10382 Da |
| Heavy Atoms | 19 |
| Complexity | 408.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCNC2=O |
| InChIKey | BAHGCTIAAMBBJI-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-N-(2-oxo-3-azepanyl)benzenesulfonamide. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-N-(2-oxo-3-azepanyl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-Methyl-N-(2-oxo-3-azepanyl)benzenesulfonamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Methyl-N-(2-oxo-3-azepanyl)benzenesulfonamide is 132130-13-3.
The molecular formula of 4-Methyl-N-(2-oxo-3-azepanyl)benzenesulfonamide is C13H18N2O3S.
The molecular weight of 4-Methyl-N-(2-oxo-3-azepanyl)benzenesulfonamide is 282.10382 g/mol.
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