TL;DR: 4-(Aminosulfonyl)-benzoyl chloride (CAS 1172493-99-0) is a chemical compound with molecular formula C7H6ClNO3S and molecular weight 218.9757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-sulfamoylbenzoyl chloride
Also Known As: 4-sulfamoylbenzoyl chloride, 4-Sulphamoylbenzoyl chloride, p-sulfamoylbenzoyl chloride, 4-Sulfamoyl-benzoyl chloride, 4-(Aminosulfonyl)benzoyl chloride
| Molecular Formula | C7H6ClNO3S |
| Molecular Weight | 218.9757 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 85.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.9757 Da |
| Heavy Atoms | 13 |
| Complexity | 287.0 |
| SMILES | C1=CC(=CC=C1C(=O)Cl)S(=O)(=O)N |
| InChIKey | SOSVTEHBZNSARP-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Aminosulfonyl)-benzoyl chloride. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Aminosulfonyl)-benzoyl chloride. Following Lipinski's Rule of Five, 4-(Aminosulfonyl)-benzoyl chloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(Aminosulfonyl)-benzoyl chloride is 1172493-99-0.
The molecular formula of 4-(Aminosulfonyl)-benzoyl chloride is C7H6ClNO3S.
The molecular weight of 4-(Aminosulfonyl)-benzoyl chloride is 218.9757 g/mol.
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