N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide
TL;DR: N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide (CAS 713095-53-5) is a chemical compound with molecular formula C13H18N4O5S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide
Also Known As: N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide, F1757-0087, N,N-dimethyl-4-((3-nitrophenyl)sulfonyl)piperazine-1-carboxamide, N,N-dimethyl-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide, N,N-dimethyl{4-[(3-nitrophenyl)sulfonyl]piperazinyl}carboxamide
| Molecular Formula | C13H18N4O5S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 0.5827 |
| Topological Polar Surface Area | 104.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.0998 |
| Heavy Atoms | 23 |
| Complexity | 710.83 |
Chemical Identifiers
| CAS Number | 713095-53-5 |
|---|---|
| SMILES | CN(C)C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
Product Overview
N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide (CAS 713095-53-5), with molecular formula C13H18N4O5S and molecular weight 342.10 g/mol. IUPAC: N,N-dimethyl-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide.
Chemical Property Profile of N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide
Property Insights of N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide
The XLogP value of 0.5827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide. The TPSA of 104.07 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide. Following Lipinski's Rule of Five, N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide has 0 hydrogen bond donor(s) and 5 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 N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide?
The CAS number of N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide is 713095-53-5.
What is the molecular formula of N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide?
The molecular formula of N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide is C13H18N4O5S.
What is the molecular weight of N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide?
The molecular weight of N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide is 342.10 g/mol.
Where can I buy N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide?
You can request a quote for N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-4-(3-nitrobenzenesulfonyl)piperazine-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.