TL;DR: 2,4,6-trimethyl-N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzene-1-sulfonamide (CAS 1005300-88-8) is a chemical compound with molecular formula C22H28N2O3S and molecular weight 400.18207 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6-trimethyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
Also Known As: 2,4,6-trimethyl-N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzene-1-sulfonamide, F2050-0204, 2,4,6-trimethyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide, N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2,4,6-trimethylbenzenesulfonamide
| Molecular Formula | C22H28N2O3S |
| Molecular Weight | 400.18207 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.18207 Da |
| Heavy Atoms | 28 |
| Complexity | 645.0 |
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC3=C(CCCN3C(=O)C(C)C)C=C2)C |
| InChIKey | HALWCZUIQXUFSC-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 2,4,6-trimethyl-N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzene-1-sulfonamide 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 2,4,6-trimethyl-N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzene-1-sulfonamide. Following Lipinski's Rule of Five, 2,4,6-trimethyl-N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzene-1-sulfonamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4,6-trimethyl-N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzene-1-sulfonamide is 1005300-88-8.
The molecular formula of 2,4,6-trimethyl-N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzene-1-sulfonamide is C22H28N2O3S.
The molecular weight of 2,4,6-trimethyl-N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-7-yl]benzene-1-sulfonamide is 400.18207 g/mol.
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