3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid
TL;DR: 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid (CAS 850635-41-5) is a chemical compound with molecular formula C11H8N2O6S2 and molecular weight 327.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-nitrophenyl)sulfamoyl]thiophene-2-carboxylic acid
Also Known As: 1xgi, 3-[(3-nitrophenyl)sulfamoyl]thiophene-2-carboxylic acid, 3-[(3-Nitrophenyl)sulfamoyl]-2-thiophenecarboxylic acid, J2.172.991D, 3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID
| Molecular Formula | C11H8N2O6S2 |
|---|---|
| Molecular Weight | 327.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.9824 |
| Heavy Atoms | 21 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 850635-41-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(SC=C2)C(=O)O |
| InChIKey | CITCNTPVKZFUAJ-UHFFFAOYSA-N |
Product Overview
3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid (CAS 850635-41-5), with molecular formula C11H8N2O6S2 and molecular weight 327.98 g/mol. IUPAC: 3-[(3-nitrophenyl)sulfamoyl]thiophene-2-carboxylic acid.
Chemical Property Profile of 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid
Property Insights of 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid. The TPSA of 166.0 Ų indicates high polarity, suggesting 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid has 2 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 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid?
The CAS number of 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid is 850635-41-5.
What is the molecular formula of 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid?
The molecular formula of 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid is C11H8N2O6S2.
What is the molecular weight of 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid?
The molecular weight of 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid is 327.98 g/mol.
Where can I buy 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid?
You can request a quote for 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-Nitrophenyl)sulfamoyl)-2-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.