Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate
TL;DR: Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate (CAS 260968-85-2) is a chemical compound with molecular formula C14H12FNO4S and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
Also Known As: methyl 4-{[(4-fluorophenyl)sulfonyl]amino}benzoate, methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate, Methyl 4-[[(4-fluorophenyl)sulfonyl]amino]benzoate, methyl 4-(4-fluorophenylsulfonamido)benzoate, Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate
| Molecular Formula | C14H12FNO4S |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.04712 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 260968-85-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F |
| InChIKey | LTRIJQHUBIJVRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate (CAS 260968-85-2), with molecular formula C14H12FNO4S and molecular weight 309.05 g/mol. IUPAC: methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate.
Chemical Property Profile of Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate
Property Insights of Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate has 1 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 4-(((4-fluorophenyl)sulfonyl)amino)benzoate?
The CAS number of Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate is 260968-85-2.
What is the molecular formula of Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate?
The molecular formula of Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate is C14H12FNO4S.
What is the molecular weight of Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate?
The molecular weight of Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate is 309.05 g/mol.
Where can I buy Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate?
You can request a quote for Methyl 4-(((4-fluorophenyl)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 4-(((4-fluorophenyl)sulfonyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.