TL;DR: (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)(p-tolylamino)methylene)-4-methylbenzenesulfonamide (CAS 351225-94-0) is a chemical compound with molecular formula C21H23N5O2S and molecular weight 409.15726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4,6-dimethylpyrimidin-2-yl)-3-(4-methylphenyl)-2-(4-methylphenyl)sulfonylguanidine
Also Known As: (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)(p-tolylamino)methylene)-4-methylbenzenesulfonamide, 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-methylphenyl)-2-(4-methylphenyl)sulfonylguanidine, N-[1-(4,6-Dimethyl-pyrimidin-2-ylamino)-1-p-tolylamino-meth-(E)-ylidene]-4-methyl-benzenesulfonamide
| Molecular Formula | C21H23N5O2S |
| Molecular Weight | 409.15726 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.15726 Da |
| Heavy Atoms | 29 |
| Complexity | 636.0 |
| SMILES | CC1=CC=C(C=C1)N/C(=N\S(=O)(=O)C2=CC=C(C=C2)C)/NC3=NC(=CC(=N3)C)C |
| InChIKey | GFEPUDBCBRBFDZ-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)(p-tolylamino)methylene)-4-methylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)(p-tolylamino)methylene)-4-methylbenzenesulfonamide. Following Lipinski's Rule of Five, (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)(p-tolylamino)methylene)-4-methylbenzenesulfonamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)(p-tolylamino)methylene)-4-methylbenzenesulfonamide is 351225-94-0.
The molecular formula of (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)(p-tolylamino)methylene)-4-methylbenzenesulfonamide is C21H23N5O2S.
The molecular weight of (E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)(p-tolylamino)methylene)-4-methylbenzenesulfonamide is 409.15726 g/mol.
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