TL;DR: N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide (CAS 1042693-27-5) is a chemical compound with molecular formula C22H21Cl2N3O5S2 and molecular weight 541.02997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide
Also Known As: N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide, N-{4-[(2,4-dichlorophenyl)sulfamoyl]phenyl}-N~2~-(methylsulfonyl)-N~2~-phenylalaninamide, N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(methylsulfonyl-phenyl-amino)propanamide
| Molecular Formula | C22H21Cl2N3O5S2 |
| Molecular Weight | 541.02997 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 541.02997 Da |
| Heavy Atoms | 34 |
| Complexity | 892.0 |
| SMILES | CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)Cl)N(C3=CC=CC=C3)S(=O)(=O)C |
| InChIKey | LZMDEAVEJDDVNE-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide. Following Lipinski's Rule of Five, N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide is 1042693-27-5.
The molecular formula of N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide is C22H21Cl2N3O5S2.
The molecular weight of N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide is 541.02997 g/mol.
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