TL;DR: Sulfadoxine (CAS 2447-57-6) is a chemical compound with molecular formula C12H14N4O4S and molecular weight 310.07358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
Also Known As: SULFADOXINE, Sulphadoxine, Sulfadoxin, Sulforthomidine, Sulphormethoxine
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H14N4O4S |
| Molecular Weight | 310.07358 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.07358 Da |
| Heavy Atoms | 21 |
| Complexity | 419.0 |
| Melting Point | 190-194 °C |
| Solubility | 2.96e-01 g/L |
| SMILES | COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N |
| InChIKey | PJSFRIWCGOHTNF-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfadoxine. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfadoxine. Following Lipinski's Rule of Five, Sulfadoxine has 2 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 Sulfadoxine is 2447-57-6.
The molecular formula of Sulfadoxine is C12H14N4O4S.
The molecular weight of Sulfadoxine is 310.07358 g/mol.
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