N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide
TL;DR: N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide (CAS 106949-45-5) is a chemical compound with molecular formula C12H12N4O4S and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide
Also Known As: N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide, N,N-BIS(2-CYANOETHYL)-4-NITRO-1-BENZENESULFONAMIDE, 3-{(2-cyanoethyl)[(4-nitrophenyl)sulfonyl]amino}propanenitrile
| Molecular Formula | C12H12N4O4S |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 1.41286 |
| Topological Polar Surface Area | 128.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.05792 |
| Heavy Atoms | 21 |
| Complexity | 667.453 |
Chemical Identifiers
| CAS Number | 106949-45-5 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N(CCC#N)CCC#N |
Product Overview
N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide (CAS 106949-45-5), with molecular formula C12H12N4O4S and molecular weight 308.06 g/mol. IUPAC: N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide.
Chemical Property Profile of N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide
Property Insights of N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide
The XLogP value of 1.41286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide. The TPSA of 128.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N,N-bis(2-cyanoethyl)-4-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 N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide?
The CAS number of N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide is 106949-45-5.
What is the molecular formula of N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide?
The molecular formula of N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide is C12H12N4O4S.
What is the molecular weight of N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide?
The molecular weight of N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide is 308.06 g/mol.
Where can I buy N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide?
You can request a quote for N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-cyanoethyl)-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.