![Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate structure](/static/products/4482/448201-66-9.webp)
Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate
TL;DR: Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate (CAS 448201-66-9) is a chemical compound with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate
Also Known As: Methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate, methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate, Methanediaminium,N,N,N,N',N',N'-hexamethyl, Methyl 2-(3-nitrobenzene-1-sulfonamido)benzoate, Benzoic acid, 2-[[(3-nitrophenyl)sulfonyl]amino]-, methyl ester
| Molecular Formula | C14H12N2O6S |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 2.1822 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.0416 |
| Heavy Atoms | 23 |
| Complexity | 863.0762 |
Chemical Identifiers
| CAS Number | 448201-66-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
Product Overview
Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate (CAS 448201-66-9), with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol. IUPAC: methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate.
Chemical Property Profile of Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate
Property Insights of Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate
The XLogP value of 2.1822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(3-nitrophenyl)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 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate?
The CAS number of Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate is 448201-66-9.
What is the molecular formula of Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate?
The molecular formula of Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate is C14H12N2O6S.
What is the molecular weight of Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate?
The molecular weight of Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate is 336.04 g/mol.
Where can I buy Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate?
You can request a quote for Methyl 2-{[(3-nitrophenyl)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-{[(3-nitrophenyl)sulfonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(3-nitrophenyl)sulfonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.