TL;DR: 4-(N,N-dimethylsulfamoyl)-N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide (CAS 1019102-94-3) is a chemical compound with molecular formula C20H19FN4O4S2 and molecular weight 462.08316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(dimethylsulfamoyl)-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: 4-(N,N-dimethylsulfamoyl)-N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, F0561-0725, 4-(dimethylsulfamoyl)-N-[2-(4-fluorophenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]benzamide, 4-(dimethylsulfamoyl)-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C20H19FN4O4S2 |
| Molecular Weight | 462.08316 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.08316 Da |
| Heavy Atoms | 31 |
| Complexity | 789.0 |
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C3CS(=O)CC3=NN2C4=CC=C(C=C4)F |
| InChIKey | XKQNTUGDNNZQCF-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N,N-dimethylsulfamoyl)-N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N,N-dimethylsulfamoyl)-N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide. Following Lipinski's Rule of Five, 4-(N,N-dimethylsulfamoyl)-N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide has 1 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 4-(N,N-dimethylsulfamoyl)-N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide is 1019102-94-3.
The molecular formula of 4-(N,N-dimethylsulfamoyl)-N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide is C20H19FN4O4S2.
The molecular weight of 4-(N,N-dimethylsulfamoyl)-N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide is 462.08316 g/mol.
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