TL;DR: N-(4-bromo-2-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (CAS 1005676-85-6) is a chemical compound with molecular formula C18H22BrFN4O3S and molecular weight 472.058 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-bromo-2-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
Also Known As: N-(4-bromo-2-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide, N-(4-bromo-2-fluoro-phenyl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperidine-3-carboxamide, N-(4-BROMO-2-FLUOROPHENYL)-1-[(1-ETHYL-3-METHYL-1H-PYRAZOL-4-YL)SULFONYL]-3-PIPERIDINECARBOXAMIDE, N-(4-bromo-2-fluorophenyl)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
| Molecular Formula | C18H22BrFN4O3S |
| Molecular Weight | 472.058 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.058 Da |
| Heavy Atoms | 28 |
| Complexity | 662.0 |
| SMILES | CCN1C=C(C(=N1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=C(C=C3)Br)F |
| InChIKey | HMWAVKOXDPGBRB-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-bromo-2-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-bromo-2-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide. Following Lipinski's Rule of Five, N-(4-bromo-2-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide 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 N-(4-bromo-2-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is 1005676-85-6.
The molecular formula of N-(4-bromo-2-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is C18H22BrFN4O3S.
The molecular weight of N-(4-bromo-2-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is 472.058 g/mol.
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