TL;DR: (benzo[c][1,2,5]thiadiazol-4-ylsulfonyl)(3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl)amide (CAS 1309667-15-9) is a chemical compound with molecular formula C21H16N6O2S2 and molecular weight 448.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonimidate
Also Known As: (benzo[c][1,2,5]thiadiazol-4-ylsulfonyl)(3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl)amide, 2,1,3-benzothiadiazol-4-ylsulfonyl-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]azanide
| Molecular Formula | C21H16N6O2S2 |
| Molecular Weight | 448.0776 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.0776 Da |
| Heavy Atoms | 31 |
| Complexity | 741.0 |
| SMILES | CC1=CC(=C[N+](=C1)C2=NC3=CC=CC=C3N=C2N=S(=O)(C4=CC=CC5=NSN=C54)[O-])C |
| InChIKey | DTSBCBBZSBSEEC-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that (benzo[c][1,2,5]thiadiazol-4-ylsulfonyl)(3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl)amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting (benzo[c][1,2,5]thiadiazol-4-ylsulfonyl)(3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl)amide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (benzo[c][1,2,5]thiadiazol-4-ylsulfonyl)(3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl)amide has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (benzo[c][1,2,5]thiadiazol-4-ylsulfonyl)(3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl)amide is 1309667-15-9.
The molecular formula of (benzo[c][1,2,5]thiadiazol-4-ylsulfonyl)(3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl)amide is C21H16N6O2S2.
The molecular weight of (benzo[c][1,2,5]thiadiazol-4-ylsulfonyl)(3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl)amide is 448.0776 g/mol.
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