4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide
TL;DR: 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide (CAS 698991-91-2) is a chemical compound with molecular formula C22H19FN4O5S2 and molecular weight 502.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-fluorophenyl)-5-oxo-1-(4-sulfamoylphenyl)-2H-pyrrol-4-yl]amino]benzenesulfonamide
Also Known As: 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide, 4-[[2-(4-fluorophenyl)-5-oxo-1-(4-sulfamoylphenyl)-2H-pyrrol-4-yl]amino]benzenesulfonamide, 4-[5-(4-FLUOROPHENYL)-2-OXO-3-[(4-SULFAMOYLPHENYL)AMINO]-2,5-DIHYDRO-1H-PYRROL-1-YL]BENZENE-1-SULFONAMIDE, 4-{5-(4-fluorophenyl)-2-oxo-3-[(4-sulfamoylphenyl)amino]-2,5-dihydro-1H-pyrrol-1-yl}benzenesulfonamide
| Molecular Formula | C22H19FN4O5S2 |
|---|---|
| Molecular Weight | 502.08 g/mol |
| LogP | 2.2044 |
| Topological Polar Surface Area | 152.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.0781 |
| Heavy Atoms | 34 |
| Complexity | 1486.3495 |
Chemical Identifiers
| CAS Number | 698991-91-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C=C(C(=O)N2C3=CC=C(C=C3)S(=O)(=O)N)NC4=CC=C(C=C4)S(=O)(=O)N)F |
Product Overview
4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide (CAS 698991-91-2), with molecular formula C22H19FN4O5S2 and molecular weight 502.08 g/mol. IUPAC: 4-[[2-(4-fluorophenyl)-5-oxo-1-(4-sulfamoylphenyl)-2H-pyrrol-4-yl]amino]benzenesulfonamide.
Chemical Property Profile of 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide
Property Insights of 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide
The XLogP value of 2.2044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide. The TPSA of 152.66 Ų indicates high polarity, suggesting 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide?
The CAS number of 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide is 698991-91-2.
What is the molecular formula of 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide?
The molecular formula of 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide is C22H19FN4O5S2.
What is the molecular weight of 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide?
The molecular weight of 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide is 502.08 g/mol.
Where can I buy 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide?
You can request a quote for 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-((5-(4-fluorophenyl)-2-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrol-3-yl)amino)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.