TL;DR: 2-fluoro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide (CAS 1005299-96-6) is a chemical compound with molecular formula C19H21FN2O3S and molecular weight 376.1257 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
Also Known As: 2-fluoro-N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzene-1-sulfonamide, 2-fluoro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, F2041-0211, 2-fluoro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
| Molecular Formula | C19H21FN2O3S |
| Molecular Weight | 376.1257 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.1257 Da |
| Heavy Atoms | 26 |
| Complexity | 604.0 |
| SMILES | CC(C)C(=O)N1CCCC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3F |
| InChIKey | HJIBDJRHLUVGNO-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2-fluoro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-fluoro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 2-fluoro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-fluoro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide is 1005299-96-6.
The molecular formula of 2-fluoro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide is C19H21FN2O3S.
The molecular weight of 2-fluoro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide is 376.1257 g/mol.
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