TL;DR: 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide (CAS 1005649-74-0) is a chemical compound with molecular formula C16H17Cl2N5O6S and molecular weight 477.02765 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
Also Known As: 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide, 2,4-dichloro-5-(morpholin-4-ylsulfonyl)-N-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]benzamide, 2,4-DICHLORO-5-(MORPHOLINOSULFONYL)-N-[2-(4-NITRO-1H-PYRAZOL-1-YL)ETHYL]BENZAMIDE
| Molecular Formula | C16H17Cl2N5O6S |
| Molecular Weight | 477.02765 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.02765 Da |
| Heavy Atoms | 30 |
| Complexity | 727.0 |
| SMILES | C1COCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NCCN3C=C(C=N3)[N+](=O)[O-])Cl)Cl |
| InChIKey | ROIJMXFQFVWRCD-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide. The TPSA of 148.0 Ų indicates high polarity, suggesting 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide has 1 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 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide is 1005649-74-0.
The molecular formula of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide is C16H17Cl2N5O6S.
The molecular weight of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide is 477.02765 g/mol.
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