4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide
TL;DR: 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide (CAS 371207-91-9) is a chemical compound with molecular formula C26H30FN3O5S and molecular weight 515.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[2-(4-fluorophenyl)-4,5-dioxo-1-(2-piperidin-1-ylethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide
Also Known As: 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide, 4-[(E)-[2-(4-fluorophenyl)-4,5-dioxo-1-(2-piperidin-1-ylethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide, 4-[2-(4-FLUOROPHENYL)-4-HYDROXY-5-OXO-1-[2-(PIPERIDIN-1-YL)ETHYL]-2,5-DIHYDRO-1H-PYRROLE-3-CARBONYL]-N,N-DIMETHYLBENZENE-1-SULFONAMIDE
| Molecular Formula | C26H30FN3O5S |
|---|---|
| Molecular Weight | 515.19 g/mol |
| LogP | 2.9836 |
| Topological Polar Surface Area | 98.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.189 |
| Heavy Atoms | 36 |
| Complexity | 1267.6628 |
Chemical Identifiers
| CAS Number | 371207-91-9 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN3CCCCC3)C4=CC=C(C=C4)F)/O |
Product Overview
4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide (CAS 371207-91-9), with molecular formula C26H30FN3O5S and molecular weight 515.19 g/mol. IUPAC: 4-[(E)-[2-(4-fluorophenyl)-4,5-dioxo-1-(2-piperidin-1-ylethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide.
Chemical Property Profile of 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide
Property Insights of 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide
The XLogP value of 2.9836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide. The TPSA of 98.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide. Following Lipinski's Rule of Five, 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide has 1 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-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
The CAS number of 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide is 371207-91-9.
What is the molecular formula of 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
The molecular formula of 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide is C26H30FN3O5S.
What is the molecular weight of 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
The molecular weight of 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide is 515.19 g/mol.
Where can I buy 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
You can request a quote for 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-(2-(piperidin-1-yl)ethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-N,N-dimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.