TL;DR: Benzenesulfonamide, 3-((ethylphenylamino)methyl)-N,N-dimethyl- (CAS 54687-44-4) is a chemical compound with molecular formula C17H22N2O2S and molecular weight 318.1402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(N-ethylanilino)methyl]-N,N-dimethylbenzenesulfonamide
Also Known As: Benzenesulfonamide, 3-((ethylphenylamino)methyl)-N,N-dimethyl-, 3-[(N-ethylanilino)methyl]-N,N-dimethylbenzenesulfonamide, Benzenesulfonamide, 3-[(ethylphenylamino)methyl]-N,N-dimethyl-, alpha-(N'-Ethylanilino)-N,N-dimethyl-m-toluenesulfonamide, m-[(ethylphenylamino)methyl]-N,N-dimethylbenzenesulphonamide
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H22N2O2S |
| Molecular Weight | 318.1402 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.1402 Da |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)N(C)C)C2=CC=CC=C2 |
| InChIKey | VBSRQOCTUKZSHQ-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that Benzenesulfonamide, 3-((ethylphenylamino)methyl)-N,N-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.0 Ų, Benzenesulfonamide, 3-((ethylphenylamino)methyl)-N,N-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonamide, 3-((ethylphenylamino)methyl)-N,N-dimethyl- has 0 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 Benzenesulfonamide, 3-((ethylphenylamino)methyl)-N,N-dimethyl- is 54687-44-4.
The molecular formula of Benzenesulfonamide, 3-((ethylphenylamino)methyl)-N,N-dimethyl- is C17H22N2O2S.
The molecular weight of Benzenesulfonamide, 3-((ethylphenylamino)methyl)-N,N-dimethyl- is 318.1402 g/mol.
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