N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide
TL;DR: N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide (CAS 106521-98-6) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide
Also Known As: N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide, 3-{(2-cyanoethyl)[benzylsulfonyl]amino}propanenitrile
| Molecular Formula | C13H15N3O2S |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 1.64576 |
| Topological Polar Surface Area | 84.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 277.0885 |
| Heavy Atoms | 19 |
| Complexity | 552.1462 |
Chemical Identifiers
| CAS Number | 106521-98-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)N(CCC#N)CCC#N |
Product Overview
N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide (CAS 106521-98-6), with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol. IUPAC: N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide.
Chemical Property Profile of N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide
Property Insights of N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide
The XLogP value of 1.64576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide. The TPSA of 84.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide. Following Lipinski's Rule of Five, N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide has 0 hydrogen bond donor(s) and 4 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)-1-phenylmethanesulfonamide?
The CAS number of N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide is 106521-98-6.
What is the molecular formula of N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide?
The molecular formula of N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide is C13H15N3O2S.
What is the molecular weight of N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide?
The molecular weight of N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide is 277.09 g/mol.
Where can I buy N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide?
You can request a quote for N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide 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)-1-phenylmethanesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-cyanoethyl)-1-phenylmethanesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.