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Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate
TL;DR: Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate (CAS 431882-49-4) is a chemical compound with molecular formula C14H14N2O6S2 and molecular weight 370.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-sulfamoylphenyl)sulfonylamino]benzoate
Also Known As: methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate, methyl 2-[(4-sulfamoylphenyl)sulfonylamino]benzoate
| Molecular Formula | C14H14N2O6S2 |
|---|---|
| Molecular Weight | 370.03 g/mol |
| LogP | 0.9214 |
| Topological Polar Surface Area | 132.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.02933 |
| Heavy Atoms | 24 |
| Complexity | 966.57916 |
Chemical Identifiers
| CAS Number | 431882-49-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate (CAS 431882-49-4), with molecular formula C14H14N2O6S2 and molecular weight 370.03 g/mol. IUPAC: methyl 2-[(4-sulfamoylphenyl)sulfonylamino]benzoate.
Chemical Property Profile of Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate
Property Insights of Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate
The XLogP value of 0.9214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate. The TPSA of 132.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate?
The CAS number of Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate is 431882-49-4.
What is the molecular formula of Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate?
The molecular formula of Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate is C14H14N2O6S2.
What is the molecular weight of Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate?
The molecular weight of Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate is 370.03 g/mol.
Where can I buy Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate?
You can request a quote for Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(4-sulfamoylphenyl)sulfonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.