Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate
TL;DR: Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate (CAS 161058-27-1) is a chemical compound with molecular formula C8H7Cl2NO4S and molecular weight 282.9473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2,4-dichloro-5-sulfamoylbenzoate
Also Known As: methyl 2,4-dichloro-5-sulfamoylbenzoate, methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate, 2-Ethanesulfonyl-benzoic acid, 4432AE, Methyl 2,4-dichloro-5-sulfamoyl-benzoate
Technical Specifications
| Molecular Formula | C8H7Cl2NO4S |
| Molecular Weight | 282.9473 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.9473 Da |
| Heavy Atoms | 16 |
| Complexity | 367.0 |
| SMILES | COC(=O)C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N |
| InChIKey | ZXSGVNRCYQXHNK-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate
Property Insights of Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate. Following Lipinski's Rule of Five, Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate?
The CAS number of Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate is 161058-27-1.
What is the molecular formula of Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate?
The molecular formula of Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate is C8H7Cl2NO4S.
What is the molecular weight of Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate?
The molecular weight of Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate is 282.9473 g/mol.
Where can I buy Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate?
You can request a quote for Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 5-(aminosulfonyl)-2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.