Sulfentrazone
TL;DR: Sulfentrazone (CAS 122836-35-5) is a chemical compound with molecular formula C11H10Cl2F2N4O3S and molecular weight 385.98187 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
Also Known As: Sulfentrazone, Authority, boral, Spartan, Sulfentrazon
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H10Cl2F2N4O3S |
| Molecular Weight | 385.98187 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.98187 Da |
| Heavy Atoms | 23 |
| Complexity | 613.0 |
| Melting Point | 121-123 °C |
| Density | 1.21 g/ml @ 20 °C |
| Vapor Pressure | 9.75X10-10 mm Hg @ 25 °C |
| Solubility | In water, 110 mg/l (pH 6) at 25 °C; 780 mg/l (pH 7) at 25 °C; 16000 mg/l (pH 7.5) at 25 °C |
| SMILES | CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)NS(=O)(=O)C)Cl)Cl |
| InChIKey | OORLZFUTLGXMEF-UHFFFAOYSA-N |
Chemical Property Profile of Sulfentrazone
Property Insights of Sulfentrazone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfentrazone. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfentrazone. Following Lipinski's Rule of Five, Sulfentrazone has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Sulfentrazone?
The CAS number of Sulfentrazone is 122836-35-5.
What is the molecular formula of Sulfentrazone?
The molecular formula of Sulfentrazone is C11H10Cl2F2N4O3S.
What is the molecular weight of Sulfentrazone?
The molecular weight of Sulfentrazone is 385.98187 g/mol.
Where can I buy Sulfentrazone?
You can request a quote for Sulfentrazone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sulfentrazone?
Yes, CoreyChem provides custom synthesis services for Sulfentrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.