![N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide structure](/static/products/5019/501944-74-7.webp)
N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide
TL;DR: N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide (CAS 501944-74-7) is a chemical compound with molecular formula C25H21ClN6O5S and molecular weight 552.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]-4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]benzenesulfonamide
Also Known As: N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide, N-[4-[2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]-4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzenesulfonamide
| Molecular Formula | C25H21ClN6O5S |
|---|---|
| Molecular Weight | 552.10 g/mol |
| LogP | 2.9548 |
| Topological Polar Surface Area | 148.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 552.09827 |
| Heavy Atoms | 38 |
| Complexity | 1777.4015 |
Chemical Identifiers
| CAS Number | 501944-74-7 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC(=N3)C=CC4=CC=C(C=C4)Cl)O |
Product Overview
N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide (CAS 501944-74-7), with molecular formula C25H21ClN6O5S and molecular weight 552.10 g/mol. IUPAC: N-[4-[2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]-4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]benzenesulfonamide.
Chemical Property Profile of N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide
Property Insights of N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide
The XLogP value of 2.9548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide. The TPSA of 148.54 Ų indicates high polarity, suggesting N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide?
The CAS number of N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide is 501944-74-7.
What is the molecular formula of N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide?
The molecular formula of N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide is C25H21ClN6O5S.
What is the molecular weight of N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide?
The molecular weight of N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide is 552.10 g/mol.
Where can I buy N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide?
You can request a quote for N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-[2-(4-Chlorophenyl)ethenyl]-2-pyrimidinyl]-4-[[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.