TL;DR: N-(3-bicyclo[2.2.1]heptanyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide (CAS 1212077-92-3) is a chemical compound with molecular formula C23H27FN2O5S and molecular weight 462.16248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-bicyclo[2.2.1]heptanyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
Also Known As: N-(3-bicyclo[2.2.1]heptanyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide, N-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl)-2-(N-(4-fluorophenyl)-3,4-dimethoxyphenylsulfonamido)acetamide
| Molecular Formula | C23H27FN2O5S |
| Molecular Weight | 462.16248 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.16248 Da |
| Heavy Atoms | 32 |
| Complexity | 752.0 |
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2CC3CCC2C3)C4=CC=C(C=C4)F)OC |
| InChIKey | UPOLRNUHDJBDET-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that N-(3-bicyclo[2.2.1]heptanyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-bicyclo[2.2.1]heptanyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide. Following Lipinski's Rule of Five, N-(3-bicyclo[2.2.1]heptanyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide 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-bicyclo[2.2.1]heptanyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide is 1212077-92-3.
The molecular formula of N-(3-bicyclo[2.2.1]heptanyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide is C23H27FN2O5S.
The molecular weight of N-(3-bicyclo[2.2.1]heptanyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide is 462.16248 g/mol.
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