4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide
TL;DR: 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide (CAS 40859-91-4) is a chemical compound with molecular formula C12H11ClN4O4S and molecular weight 342.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide
Also Known As: 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide, N1,N1-DI(2-CYANOETHYL)-4-CHLORO-3-NITROBENZENE-1-SULFONAMIDE, Benzenesulfonamide,4-chloro-N,N-bis(2-cyanoethyl)-3-nitro-, 4-Chlor-3-nitro-benzolsulfonsaeure-[bis-(2-cyan-aethyl)-amid], 4-Chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzene-1-sulfonamide
| Molecular Formula | C12H11ClN4O4S |
|---|---|
| Molecular Weight | 342.02 g/mol |
| LogP | 2.06626 |
| Topological Polar Surface Area | 128.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.01895 |
| Heavy Atoms | 22 |
| Complexity | 733.37024 |
Chemical Identifiers
| CAS Number | 40859-91-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)N(CCC#N)CCC#N)[N+](=O)[O-])Cl |
Product Overview
4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide (CAS 40859-91-4), with molecular formula C12H11ClN4O4S and molecular weight 342.02 g/mol. IUPAC: 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide.
Chemical Property Profile of 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide
Property Insights of 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide
The XLogP value of 2.06626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide. The TPSA of 128.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide has 0 hydrogen bond donor(s) and 6 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-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide?
The CAS number of 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide is 40859-91-4.
What is the molecular formula of 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide?
The molecular formula of 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide is C12H11ClN4O4S.
What is the molecular weight of 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide?
The molecular weight of 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide is 342.02 g/mol.
Where can I buy 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide?
You can request a quote for 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.