![Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate structure](/static/products/1491/149142-23-4.webp)
Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate (CAS 149142-23-4) is a chemical compound with molecular formula C16H13ClN2O8S and molecular weight 428.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate
Also Known As: BAS 00411792, 1,3-Dimethyl 5-[[(4-chloro-3-nitrophenyl)amino]sulfonyl]-1,3-benzenedicarboxylate, dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate, dimethyl 5-{[(4-chloro-3-nitrophenyl)amino]sulfonyl}isophthalate, 5-(4-Chloro-3-nitro-phenylsulfamoyl)-isophthalic acid dimethyl ester
| Molecular Formula | C16H13ClN2O8S |
|---|---|
| Molecular Weight | 428.01 g/mol |
| LogP | 2.6222 |
| Topological Polar Surface Area | 141.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.00812 |
| Heavy Atoms | 28 |
| Complexity | 1034.0591 |
Chemical Identifiers
| CAS Number | 149142-23-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC |
Product Overview
Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate (CAS 149142-23-4), with molecular formula C16H13ClN2O8S and molecular weight 428.01 g/mol. IUPAC: dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate
The XLogP value of 2.6222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate. The TPSA of 141.91 Ų indicates high polarity, suggesting Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate has 1 hydrogen bond donor(s) and 8 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 Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate is 149142-23-4.
What is the molecular formula of Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate is C16H13ClN2O8S.
What is the molecular weight of Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate is 428.01 g/mol.
Where can I buy Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-[(4-chloro-3-nitrophenyl)sulfamoyl]benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.