4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide
TL;DR: 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide (CAS 349404-89-3) is a chemical compound with molecular formula C10H8BrN3O2S and molecular weight 312.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide
Also Known As: 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide, BAS 00782863, 4-Bromo-N,N-bis-cyanomethyl-benzenesulfonamide, 2-{[(4-bromophenyl)sulfonyl](cyanomethyl)amino}ethanenitrile, 4-BROMO-N,N-BIS(CYANOMETHYL)BENZENE-1-SULFONAMIDE
| Molecular Formula | C10H8BrN3O2S |
|---|---|
| Molecular Weight | 312.95 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.95206 |
| Heavy Atoms | 17 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 349404-89-3 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)N(CC#N)CC#N)Br |
| InChIKey | FOIXDSMQOXIHQQ-UHFFFAOYSA-N |
Product Overview
4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide (CAS 349404-89-3), with molecular formula C10H8BrN3O2S and molecular weight 312.95 g/mol. IUPAC: 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide.
Chemical Property Profile of 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide
Property Insights of 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-bromo-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 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide?
The CAS number of 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide is 349404-89-3.
What is the molecular formula of 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide?
The molecular formula of 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide is C10H8BrN3O2S.
What is the molecular weight of 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide?
The molecular weight of 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide is 312.95 g/mol.
Where can I buy 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide?
You can request a quote for 4-bromo-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 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N,N-bis(cyanomethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.