TL;DR: 5-[4-(Acetylsulfamoyl)anilino]-5-oxopentanoic acid (CAS 147916-33-4) is a chemical compound with molecular formula C13H16N2O6S and molecular weight 328.0729 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[4-(acetylsulfamoyl)anilino]-5-oxopentanoic acid
Also Known As: 5-[4-(acetylsulfamoyl)anilino]-5-oxopentanoic acid, 5-[[4-[(Acetylamino)sulfonyl]phenyl]amino]-5-oxopentanoic acid, 5-{[4-(acetylsulfamoyl)phenyl]amino}-5-oxopentanoic acid, 4-[[4-(acetylsulfamoyl)phenyl]carbamoyl]butanoic Acid, 4-(N-{4-[(acetylamino)sulfonyl]phenyl}carbamoyl)butanoic acid
| Molecular Formula | C13H16N2O6S |
| Molecular Weight | 328.0729 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.0729 Da |
| Heavy Atoms | 22 |
| Complexity | 517.0 |
| SMILES | CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCCC(=O)O |
| InChIKey | SCHMIRBCQYNIFJ-UHFFFAOYSA-N |
The XLogP value of -1.3 indicates that 5-[4-(Acetylsulfamoyl)anilino]-5-oxopentanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(Acetylsulfamoyl)anilino]-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-[4-(Acetylsulfamoyl)anilino]-5-oxopentanoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-[4-(Acetylsulfamoyl)anilino]-5-oxopentanoic acid is 147916-33-4.
The molecular formula of 5-[4-(Acetylsulfamoyl)anilino]-5-oxopentanoic acid is C13H16N2O6S.
The molecular weight of 5-[4-(Acetylsulfamoyl)anilino]-5-oxopentanoic acid is 328.0729 g/mol.
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