TL;DR: 2-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-nitrobenzamide hydrochloride (CAS 1049789-03-8) is a chemical compound with molecular formula C19H17Cl2N5O5S and molecular weight 497.03275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-nitrobenzamide;hydrochloride
Also Known As: 2-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-nitrobenzamide hydrochloride, 2-chloro-N-(4-(N-(2,6-dimethylpyrimidin-4-yl)sulfamoyl)phenyl)-4-nitrobenzamide hydrochloride, 2-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-nitro-benzamide Hydrochloride, N-(4-{[(2,6-dimethylpyrimidin-4-yl)amino]sulfonyl}phenyl)(2-chloro-4-nitrophen yl)carboxamide, chloride
| Molecular Formula | C19H17Cl2N5O5S |
| Molecular Weight | 497.03275 g/mol |
| XLogP | 4.12994 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.03275 Da |
| Heavy Atoms | 32 |
| Complexity | 750.0 |
| SMILES | CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl.Cl |
| InChIKey | SCAACVYAWPLWLR-UHFFFAOYSA-N |
The XLogP value of 4.12994 indicates that 2-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-nitrobenzamide hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting 2-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-nitrobenzamide hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-nitrobenzamide hydrochloride has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-nitrobenzamide hydrochloride is 1049789-03-8.
The molecular formula of 2-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-nitrobenzamide hydrochloride is C19H17Cl2N5O5S.
The molecular weight of 2-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-nitrobenzamide hydrochloride is 497.03275 g/mol.
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