N,N'-(iminoditrimethylene)di-p-toluenesulfonamide
TL;DR: N,N'-(iminoditrimethylene)di-p-toluenesulfonamide (CAS 13380-01-3) is a chemical compound with molecular formula C20H30ClN3O4S2 and molecular weight 475.13663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]benzenesulfonamide;hydrochloride
Also Known As: N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide, Ro 5-5340, N,N'-(Iminodi-3,1-propanediyl)bis(4-methylbenzenesulfonamide), 4-methyl-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino], N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide hydrochloride
Technical Specifications
| Molecular Formula | C20H30ClN3O4S2 |
| Molecular Weight | 475.13663 g/mol |
| XLogP | 2.35 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 475.13663 Da |
| Heavy Atoms | 30 |
| Complexity | 597.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCCNCCCNS(=O)(=O)C2=CC=C(C=C2)C.Cl |
| InChIKey | QMDIBHGMMFHRMW-UHFFFAOYSA-N |
Chemical Property Profile of N,N'-(iminoditrimethylene)di-p-toluenesulfonamide
Property Insights of N,N'-(iminoditrimethylene)di-p-toluenesulfonamide
The XLogP value of 2.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-(iminoditrimethylene)di-p-toluenesulfonamide. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-(iminoditrimethylene)di-p-toluenesulfonamide. Following Lipinski's Rule of Five, N,N'-(iminoditrimethylene)di-p-toluenesulfonamide has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N,N'-(iminoditrimethylene)di-p-toluenesulfonamide?
The CAS number of N,N'-(iminoditrimethylene)di-p-toluenesulfonamide is 13380-01-3.
What is the molecular formula of N,N'-(iminoditrimethylene)di-p-toluenesulfonamide?
The molecular formula of N,N'-(iminoditrimethylene)di-p-toluenesulfonamide is C20H30ClN3O4S2.
What is the molecular weight of N,N'-(iminoditrimethylene)di-p-toluenesulfonamide?
The molecular weight of N,N'-(iminoditrimethylene)di-p-toluenesulfonamide is 475.13663 g/mol.
Where can I buy N,N'-(iminoditrimethylene)di-p-toluenesulfonamide?
You can request a quote for N,N'-(iminoditrimethylene)di-p-toluenesulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N'-(iminoditrimethylene)di-p-toluenesulfonamide?
Yes, CoreyChem provides custom synthesis services for N,N'-(iminoditrimethylene)di-p-toluenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.