TL;DR: Benzenesulfonyl chloride, 2-(acetylamino)-3,5-dimethoxy- (CAS 68016-04-6) is a chemical compound with molecular formula C10H12ClNO5S and molecular weight 293.01248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetamido-3,5-dimethoxybenzenesulfonyl chloride
Also Known As: Benzenesulfonyl chloride, 2-(acetylamino)-3,5-dimethoxy-, 2-Acetamido-3,5-dimethoxybenzenesulphonyl chloride, 2-Acetylamino-3,5-dimethoxybenzenesulfonyl chloride, 2-acetamido-3,5-dimethoxybenzenesulfonyl chloride, 2-Acetamido-3,5-dimethoxybenzene-1-sulfonyl chloride
| Molecular Formula | C10H12ClNO5S |
| Molecular Weight | 293.01248 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 90.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.01248 Da |
| Heavy Atoms | 18 |
| Complexity | 394.0 |
| SMILES | CC(=O)NC1=C(C=C(C=C1S(=O)(=O)Cl)OC)OC |
| InChIKey | VJDVPZBKSXMSHM-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonyl chloride, 2-(acetylamino)-3,5-dimethoxy-. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonyl chloride, 2-(acetylamino)-3,5-dimethoxy-. Following Lipinski's Rule of Five, Benzenesulfonyl chloride, 2-(acetylamino)-3,5-dimethoxy- 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 Benzenesulfonyl chloride, 2-(acetylamino)-3,5-dimethoxy- is 68016-04-6.
The molecular formula of Benzenesulfonyl chloride, 2-(acetylamino)-3,5-dimethoxy- is C10H12ClNO5S.
The molecular weight of Benzenesulfonyl chloride, 2-(acetylamino)-3,5-dimethoxy- is 293.01248 g/mol.
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