N-(cyanomethyl)-4-nitrobenzenesulfonamide
TL;DR: N-(cyanomethyl)-4-nitrobenzenesulfonamide (CAS 103472-15-7) is a chemical compound with molecular formula C8H7N3O4S and molecular weight 241.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)-4-nitrobenzenesulfonamide
Also Known As: N-(cyanomethyl)-4-nitrobenzenesulfonamide, N-Cyanomethyl 4-nitrophenylsulfonamide, N-Cyanomethyl-4-nitro-benzenesulfonamide, 4-Nitro-N-(cyanomethyl)benzenesulfonamide, BAS 00625054
| Molecular Formula | C8H7N3O4S |
|---|---|
| Molecular Weight | 241.02 g/mol |
| LogP | 0.39668 |
| Topological Polar Surface Area | 113.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.01573 |
| Heavy Atoms | 16 |
| Complexity | 529.39703 |
Chemical Identifiers
| CAS Number | 103472-15-7 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NCC#N |
Product Overview
N-(cyanomethyl)-4-nitrobenzenesulfonamide (CAS 103472-15-7), with molecular formula C8H7N3O4S and molecular weight 241.02 g/mol. IUPAC: N-(cyanomethyl)-4-nitrobenzenesulfonamide.
Chemical Property Profile of N-(cyanomethyl)-4-nitrobenzenesulfonamide
Property Insights of N-(cyanomethyl)-4-nitrobenzenesulfonamide
The XLogP value of 0.39668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(cyanomethyl)-4-nitrobenzenesulfonamide. The TPSA of 113.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(cyanomethyl)-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(cyanomethyl)-4-nitrobenzenesulfonamide has 1 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-(cyanomethyl)-4-nitrobenzenesulfonamide?
The CAS number of N-(cyanomethyl)-4-nitrobenzenesulfonamide is 103472-15-7.
What is the molecular formula of N-(cyanomethyl)-4-nitrobenzenesulfonamide?
The molecular formula of N-(cyanomethyl)-4-nitrobenzenesulfonamide is C8H7N3O4S.
What is the molecular weight of N-(cyanomethyl)-4-nitrobenzenesulfonamide?
The molecular weight of N-(cyanomethyl)-4-nitrobenzenesulfonamide is 241.02 g/mol.
Where can I buy N-(cyanomethyl)-4-nitrobenzenesulfonamide?
You can request a quote for N-(cyanomethyl)-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-(cyanomethyl)-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(cyanomethyl)-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.