TL;DR: 2-[(4-Chlorophenyl)(methylsulfonyl)amino]-N-[4-[(phenylamino)sulfonyl]phenyl]propanamide (CAS 1040350-81-9) is a chemical compound with molecular formula C22H22ClN3O5S2 and molecular weight 507.06894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chloro-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]propanamide
Also Known As: 2-[(4-Chlorophenyl)(methylsulfonyl)amino]-N-[4-[(phenylamino)sulfonyl]phenyl]propanamide, 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]propanamide, 2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-[4-(phenylsulfamoyl)phenyl]propanamide, N~2~-(4-Chlorophenyl)-N~2~-(methanesulfonyl)-N-[4-(phenylsulfamoyl)phenyl]alaninamide
| Molecular Formula | C22H22ClN3O5S2 |
| Molecular Weight | 507.06894 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 507.06894 Da |
| Heavy Atoms | 33 |
| Complexity | 849.0 |
| SMILES | CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)N(C3=CC=C(C=C3)Cl)S(=O)(=O)C |
| InChIKey | YSYPFXVVXNVRDH-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 2-[(4-Chlorophenyl)(methylsulfonyl)amino]-N-[4-[(phenylamino)sulfonyl]phenyl]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 2-[(4-Chlorophenyl)(methylsulfonyl)amino]-N-[4-[(phenylamino)sulfonyl]phenyl]propanamide. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)(methylsulfonyl)amino]-N-[4-[(phenylamino)sulfonyl]phenyl]propanamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[(4-Chlorophenyl)(methylsulfonyl)amino]-N-[4-[(phenylamino)sulfonyl]phenyl]propanamide is 1040350-81-9.
The molecular formula of 2-[(4-Chlorophenyl)(methylsulfonyl)amino]-N-[4-[(phenylamino)sulfonyl]phenyl]propanamide is C22H22ClN3O5S2.
The molecular weight of 2-[(4-Chlorophenyl)(methylsulfonyl)amino]-N-[4-[(phenylamino)sulfonyl]phenyl]propanamide is 507.06894 g/mol.
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