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Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate
TL;DR: Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate (CAS 296275-13-3) 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-[(4-nitrophenyl)sulfonylamino]benzoate
Also Known As: methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate, methyl 2-(4-nitrobenzenesulfonamido)benzoate, methyl 2-{[(4-nitrophenyl)sulfonyl]amino}benzoate, 2-(4-nitro-benzenesulfonylamino)-benzoic acid methyl ester
| Molecular Formula | C14H12N2O6S |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.0416 |
| Heavy Atoms | 23 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 296275-13-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | BHTHFWDQFSDSFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate (CAS 296275-13-3), with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol. IUPAC: methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate.
Chemical Property Profile of Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate
Property Insights of Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate has 1 hydrogen bond donor(s) and 7 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-nitrophenyl)sulfonylamino]benzoate?
The CAS number of Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate is 296275-13-3.
What is the molecular formula of Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate?
The molecular formula of Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate is C14H12N2O6S.
What is the molecular weight of Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate?
The molecular weight of Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate is 336.04 g/mol.
Where can I buy Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate?
You can request a quote for Methyl 2-[(4-nitrophenyl)sulfonylamino]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-nitrophenyl)sulfonylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4-nitrophenyl)sulfonylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.