TL;DR: 4-{3-[4-(Fluorosulfonyl)phenyl]-5-phenyl-2-pyrazolinyl}benzenesulfonamide (CAS 116919-50-7) is a chemical compound with molecular formula C21H18FN3O4S2 and molecular weight 459.07227 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-5-yl]benzenesulfonyl fluoride
Also Known As: BAS 03819330, 4-{3-[4-(fluorosulfonyl)phenyl]-5-phenyl-2-pyrazolinyl}benzenesulfonamide, 4-[3-phenyl-2-(4-sulfamoylphenyl)-3,4-dihydropyrazol-5-yl]benzenesulfonyl fluoride, 4-[5-Phenyl-1-(4-sulfamoyl-phenyl)-4,5-dihydro-1H-pyrazol-3-yl]-benzenesulfonyl, 4-[5-phenyl-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzene-1-sulfonyl fluoride
| Molecular Formula | C21H18FN3O4S2 |
| Molecular Weight | 459.07227 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.07227 Da |
| Heavy Atoms | 31 |
| Complexity | 859.0 |
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)S(=O)(=O)F)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4 |
| InChIKey | GHNXHZYBNAQXKR-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 4-{3-[4-(Fluorosulfonyl)phenyl]-5-phenyl-2-pyrazolinyl}benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{3-[4-(Fluorosulfonyl)phenyl]-5-phenyl-2-pyrazolinyl}benzenesulfonamide. Following Lipinski's Rule of Five, 4-{3-[4-(Fluorosulfonyl)phenyl]-5-phenyl-2-pyrazolinyl}benzenesulfonamide 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-{3-[4-(Fluorosulfonyl)phenyl]-5-phenyl-2-pyrazolinyl}benzenesulfonamide is 116919-50-7.
The molecular formula of 4-{3-[4-(Fluorosulfonyl)phenyl]-5-phenyl-2-pyrazolinyl}benzenesulfonamide is C21H18FN3O4S2.
The molecular weight of 4-{3-[4-(Fluorosulfonyl)phenyl]-5-phenyl-2-pyrazolinyl}benzenesulfonamide is 459.07227 g/mol.
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