TL;DR: N-(3-((2,4-dimethoxyphenyl)amino)quinoxalin-2-yl)benzo[c][1,2,5]thiadiazole-4-sulfonamide (CAS 1004717-61-6) is a chemical compound with molecular formula C22H18N6O4S2 and molecular weight 494.0831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
Also Known As: N-(3-((2,4-dimethoxyphenyl)amino)quinoxalin-2-yl)benzo[c][1,2,5]thiadiazole-4-sulfonamide, N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
| Molecular Formula | C22H18N6O4S2 |
| Molecular Weight | 494.0831 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 165.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.0831 Da |
| Heavy Atoms | 34 |
| Complexity | 786.0 |
| SMILES | COC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC5=NSN=C54)OC |
| InChIKey | XFQSIMRCBRJOJF-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that N-(3-((2,4-dimethoxyphenyl)amino)quinoxalin-2-yl)benzo[c][1,2,5]thiadiazole-4-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting N-(3-((2,4-dimethoxyphenyl)amino)quinoxalin-2-yl)benzo[c][1,2,5]thiadiazole-4-sulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3-((2,4-dimethoxyphenyl)amino)quinoxalin-2-yl)benzo[c][1,2,5]thiadiazole-4-sulfonamide has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(3-((2,4-dimethoxyphenyl)amino)quinoxalin-2-yl)benzo[c][1,2,5]thiadiazole-4-sulfonamide is 1004717-61-6.
The molecular formula of N-(3-((2,4-dimethoxyphenyl)amino)quinoxalin-2-yl)benzo[c][1,2,5]thiadiazole-4-sulfonamide is C22H18N6O4S2.
The molecular weight of N-(3-((2,4-dimethoxyphenyl)amino)quinoxalin-2-yl)benzo[c][1,2,5]thiadiazole-4-sulfonamide is 494.0831 g/mol.
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