N-ethyl-4-nitrobenzenesulfonamide
TL;DR: N-ethyl-4-nitrobenzenesulfonamide (CAS 52868-65-2) is a chemical compound with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-nitrobenzenesulfonamide
Also Known As: N-ethyl-4-nitrobenzenesulfonamide, N-Ethyl-4-nitro-benzenesulfonamide, Benzenesulfonamide, N-ethyl-4-nitro-, N-ethyl-4-nitrobenzene-1-sulfonamide, 4-Nitro-N-ethylbenzenesulfonamide
| Molecular Formula | C8H10N2O4S |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.03613 |
| Heavy Atoms | 15 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 52868-65-2 |
|---|---|
| SMILES | CCNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | GTUAWMBSCRFHKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-ethyl-4-nitrobenzenesulfonamide (CAS 52868-65-2), with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol. IUPAC: N-ethyl-4-nitrobenzenesulfonamide.
Chemical Property Profile of N-ethyl-4-nitrobenzenesulfonamide
Property Insights of N-ethyl-4-nitrobenzenesulfonamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-4-nitrobenzenesulfonamide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethyl-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-ethyl-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-ethyl-4-nitrobenzenesulfonamide?
The CAS number of N-ethyl-4-nitrobenzenesulfonamide is 52868-65-2.
What is the molecular formula of N-ethyl-4-nitrobenzenesulfonamide?
The molecular formula of N-ethyl-4-nitrobenzenesulfonamide is C8H10N2O4S.
What is the molecular weight of N-ethyl-4-nitrobenzenesulfonamide?
The molecular weight of N-ethyl-4-nitrobenzenesulfonamide is 230.04 g/mol.
Where can I buy N-ethyl-4-nitrobenzenesulfonamide?
You can request a quote for N-ethyl-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-ethyl-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.