TL;DR: N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[[3-(1-pyrrolidinylsulfonyl)phenyl]amino]propanamide (CAS 1024612-65-4) is a chemical compound with molecular formula C20H21ClF3N3O3S and molecular weight 475.09442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)propanamide
Also Known As: N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[[3-(1-pyrrolidinylsulfonyl)phenyl]amino]propanamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)propanamide, N-[2-Chloro-5-(trifluoromethyl)phenyl]-N~2~-[3-(pyrrolidine-1-sulfonyl)phenyl]alaninamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]propanamide
| Molecular Formula | C20H21ClF3N3O3S |
| Molecular Weight | 475.09442 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.09442 Da |
| Heavy Atoms | 31 |
| Complexity | 725.0 |
| SMILES | CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3 |
| InChIKey | PXCNOTBDMKQNQE-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[[3-(1-pyrrolidinylsulfonyl)phenyl]amino]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[[3-(1-pyrrolidinylsulfonyl)phenyl]amino]propanamide. Following Lipinski's Rule of Five, N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[[3-(1-pyrrolidinylsulfonyl)phenyl]amino]propanamide has 2 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 N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[[3-(1-pyrrolidinylsulfonyl)phenyl]amino]propanamide is 1024612-65-4.
The molecular formula of N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[[3-(1-pyrrolidinylsulfonyl)phenyl]amino]propanamide is C20H21ClF3N3O3S.
The molecular weight of N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[[3-(1-pyrrolidinylsulfonyl)phenyl]amino]propanamide is 475.09442 g/mol.
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