TL;DR: N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide (CAS 132038-94-9) is a chemical compound with molecular formula C16H21N9O2S and molecular weight 403.1539 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
Also Known As: N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide, AB00530025-07, AE-848/32061014, N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide, N-(4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
| Molecular Formula | C16H21N9O2S |
| Molecular Weight | 403.1539 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.1539 Da |
| Heavy Atoms | 28 |
| Complexity | 582.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC(=NC(=N2)N(C)C)N(C)C)N3C=NN=C3 |
| InChIKey | RZBYENQJAHUFNE-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide. Following Lipinski's Rule of Five, N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide is 132038-94-9.
The molecular formula of N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide is C16H21N9O2S.
The molecular weight of N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide is 403.1539 g/mol.
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