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Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate
TL;DR: Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate (CAS 1325374-36-4) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.0674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate
Also Known As: ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate, AO-854/43462375, ethyl 3-{[(4-cyanophenyl)sulfonyl]amino}benzoate
Technical Specifications
| Molecular Formula | C16H14N2O4S |
| Molecular Weight | 330.0674 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.0674 Da |
| Heavy Atoms | 23 |
| Complexity | 552.0 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C#N |
| InChIKey | USBTWSNRXOZTTQ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate
Property Insights of Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 3-[(4-cyanophenyl)sulfonylamino]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
What is the CAS number of Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate?
The CAS number of Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate is 1325374-36-4.
What is the molecular formula of Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate?
The molecular formula of Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate is C16H14N2O4S.
What is the molecular weight of Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate?
The molecular weight of Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate is 330.0674 g/mol.
Where can I buy Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate?
You can request a quote for Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.