![4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide structure](/static/products/879/879471-90-6.png)
4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide
TL;DR: 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide (CAS 879471-90-6) is a chemical compound with molecular formula C18H15N3O7S and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide
Also Known As: 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide, 4-(3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzenesulfonamide, 4-[3-Acetyl-4-hydroxy-2-(3-nitro-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-benzenesulfonamide, 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzenesulfonamide
| Molecular Formula | C18H15N3O7S |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 1.7312 |
| Topological Polar Surface Area | 160.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.06308 |
| Heavy Atoms | 29 |
| Complexity | 1170.1958 |
Chemical Identifiers
| CAS Number | 879471-90-6 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N)O |
Product Overview
4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide (CAS 879471-90-6), with molecular formula C18H15N3O7S and molecular weight 417.06 g/mol. IUPAC: 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide.
Chemical Property Profile of 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide
Property Insights of 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide
The XLogP value of 1.7312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide. The TPSA of 160.91 Ų indicates high polarity, suggesting 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide has 2 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 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide?
The CAS number of 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide is 879471-90-6.
What is the molecular formula of 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide?
The molecular formula of 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide is C18H15N3O7S.
What is the molecular weight of 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide?
The molecular weight of 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide is 417.06 g/mol.
Where can I buy 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide?
You can request a quote for 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.