TL;DR: N-[(2-chlorophenyl)methyl]-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CAS 1008265-65-3) is a chemical compound with molecular formula C24H23ClN2O3S and molecular weight 454.1118 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: N-[(2-chlorophenyl)methyl]-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, N-[(2-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide, N-[(2-chlorophenyl)methyl]{2-[(4-methylphenyl)sulfonyl](3-1,2,3,4-tetrahydrois oquinolyl)}carboxamide
| Molecular Formula | C24H23ClN2O3S |
| Molecular Weight | 454.1118 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.1118 Da |
| Heavy Atoms | 31 |
| Complexity | 717.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC=CC=C4Cl |
| InChIKey | CPFFOQYVRJRFBP-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that N-[(2-chlorophenyl)methyl]-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide 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 N-[(2-chlorophenyl)methyl]-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide. Following Lipinski's Rule of Five, N-[(2-chlorophenyl)methyl]-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide 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 N-[(2-chlorophenyl)methyl]-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is 1008265-65-3.
The molecular formula of N-[(2-chlorophenyl)methyl]-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is C24H23ClN2O3S.
The molecular weight of N-[(2-chlorophenyl)methyl]-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is 454.1118 g/mol.
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