TL;DR: 4-[(8-quinolinylamino)sulfonyl]Benzoic acid ethyl ester (CAS 1280821-31-9) is a chemical compound with molecular formula C18H16N2O4S and molecular weight 356.08307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(quinolin-8-ylsulfamoyl)benzoate
Also Known As: ethyl 4-(quinolin-8-ylsulfamoyl)benzoate, 4-[(8-quinolinylamino)sulfonyl]Benzoic acid ethyl ester
| Molecular Formula | C18H16N2O4S |
| Molecular Weight | 356.08307 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 93.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.08307 Da |
| Heavy Atoms | 25 |
| Complexity | 552.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=CC=C3 |
| InChIKey | BLDSLPRPMXHVSN-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(8-quinolinylamino)sulfonyl]Benzoic acid ethyl ester. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(8-quinolinylamino)sulfonyl]Benzoic acid ethyl ester. Following Lipinski's Rule of Five, 4-[(8-quinolinylamino)sulfonyl]Benzoic acid ethyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[(8-quinolinylamino)sulfonyl]Benzoic acid ethyl ester is 1280821-31-9.
The molecular formula of 4-[(8-quinolinylamino)sulfonyl]Benzoic acid ethyl ester is C18H16N2O4S.
The molecular weight of 4-[(8-quinolinylamino)sulfonyl]Benzoic acid ethyl ester is 356.08307 g/mol.
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