TL;DR: 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide (CAS 1005293-49-1) is a chemical compound with molecular formula C17H19ClN2O3S2 and molecular weight 398.05255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide
Also Known As: F2041-0226, 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide, 5-chloro-N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-6-yl]thiophene-2-sulfonamide, 5-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide
| Molecular Formula | C17H19ClN2O3S2 |
| Molecular Weight | 398.05255 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.05255 Da |
| Heavy Atoms | 25 |
| Complexity | 593.0 |
| SMILES | CC(C)C(=O)N1CCCC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=C(S3)Cl |
| InChIKey | UQHCQMDIQBBSHD-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide. Following Lipinski's Rule of Five, 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide 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 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide is 1005293-49-1.
The molecular formula of 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide is C17H19ClN2O3S2.
The molecular weight of 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide is 398.05255 g/mol.
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