N,N-bis(cyanomethyl)benzenesulfonamide
TL;DR: N,N-bis(cyanomethyl)benzenesulfonamide (CAS 5428-06-8) is a chemical compound with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(cyanomethyl)benzenesulfonamide
Also Known As: N,N-bis(cyanomethyl)benzenesulfonamide, N,N-Bis-cyanomethyl-benzenesulfonamide, BAS 00624836, 2-[(cyanomethyl)(phenylsulfonyl)amino]ethanenitrile
| Molecular Formula | C10H9N3O2S |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.04155 |
| Heavy Atoms | 16 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 5428-06-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N(CC#N)CC#N |
| InChIKey | VPZHRWPIKASOST-UHFFFAOYSA-N |
Product Overview
N,N-bis(cyanomethyl)benzenesulfonamide (CAS 5428-06-8), with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol. IUPAC: N,N-bis(cyanomethyl)benzenesulfonamide.
Chemical Property Profile of N,N-bis(cyanomethyl)benzenesulfonamide
Property Insights of N,N-bis(cyanomethyl)benzenesulfonamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(cyanomethyl)benzenesulfonamide. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(cyanomethyl)benzenesulfonamide. Following Lipinski's Rule of Five, N,N-bis(cyanomethyl)benzenesulfonamide 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-bis(cyanomethyl)benzenesulfonamide?
The CAS number of N,N-bis(cyanomethyl)benzenesulfonamide is 5428-06-8.
What is the molecular formula of N,N-bis(cyanomethyl)benzenesulfonamide?
The molecular formula of N,N-bis(cyanomethyl)benzenesulfonamide is C10H9N3O2S.
What is the molecular weight of N,N-bis(cyanomethyl)benzenesulfonamide?
The molecular weight of N,N-bis(cyanomethyl)benzenesulfonamide is 235.04 g/mol.
Where can I buy N,N-bis(cyanomethyl)benzenesulfonamide?
You can request a quote for N,N-bis(cyanomethyl)benzenesulfonamide 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(cyanomethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(cyanomethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.