TL;DR: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide (CAS 333749-15-8) is a chemical compound with molecular formula C21H25ClN2O4S and molecular weight 436.12234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
Also Known As: BAS 02971171, AH-487/15582719, N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide, N-(2-Azepan-1-yl-2-oxo-ethyl)-N-(3-chloro-4-methoxy-phenyl)-benzenesulfonamide, N-[2-(1-azepanyl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
| Molecular Formula | C21H25ClN2O4S |
| Molecular Weight | 436.12234 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.12234 Da |
| Heavy Atoms | 29 |
| Complexity | 625.0 |
| SMILES | COC1=C(C=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3)Cl |
| InChIKey | GHNWXSZWNXPKQD-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide. Following Lipinski's Rule of Five, N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide has 0 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 N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide is 333749-15-8.
The molecular formula of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide is C21H25ClN2O4S.
The molecular weight of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide is 436.12234 g/mol.
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