TL;DR: N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-(difluoromethyl)pyrazole-3-carboxamide (CAS 1005636-12-3) is a chemical compound with molecular formula C18H14ClF2N3O4S and molecular weight 441.03616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-(difluoromethyl)pyrazole-3-carboxamide
Also Known As: N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-(difluoromethyl)pyrazole-3-carboxamide, N-{3-[(4-chlorophenyl)sulfonyl]-5-methoxyphenyl}-1-(difluoromethyl)-1H-pyrazole-3-carboxamide, N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-1-(difluoromethyl)pyrazole-3-carboxamide
| Molecular Formula | C18H14ClF2N3O4S |
| Molecular Weight | 441.03616 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.03616 Da |
| Heavy Atoms | 29 |
| Complexity | 671.0 |
| SMILES | COC1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)C(F)F)S(=O)(=O)C3=CC=C(C=C3)Cl |
| InChIKey | PTDYADWGEGFDLY-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-(difluoromethyl)pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-(difluoromethyl)pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-(difluoromethyl)pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-(difluoromethyl)pyrazole-3-carboxamide is 1005636-12-3.
The molecular formula of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-(difluoromethyl)pyrazole-3-carboxamide is C18H14ClF2N3O4S.
The molecular weight of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-(difluoromethyl)pyrazole-3-carboxamide is 441.03616 g/mol.
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