N,N-Diethyl-4-nitrobenzenesulfonamide
TL;DR: N,N-Diethyl-4-nitrobenzenesulfonamide (CAS 89840-82-4) is a chemical compound with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-nitrobenzenesulfonamide
Also Known As: N,N-diethyl-4-nitrobenzenesulfonamide, N,N-Diethyl 4-nitrobenzenesulfonamide, N,N-diethyl-4-nitrobenzene-1-sulfonamide, N,N-Diethyl-4-nitro-benzenesulfonamide, diethyl[(4-nitrophenyl)sulfonyl]amine
| Molecular Formula | C10H14N2O4S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0674 |
| Heavy Atoms | 17 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 89840-82-4 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | SONXVVRXIQJXIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diethyl-4-nitrobenzenesulfonamide (CAS 89840-82-4), with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol. IUPAC: N,N-diethyl-4-nitrobenzenesulfonamide.
Chemical Property Profile of N,N-Diethyl-4-nitrobenzenesulfonamide
Property Insights of N,N-Diethyl-4-nitrobenzenesulfonamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyl-4-nitrobenzenesulfonamide. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Diethyl-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N,N-Diethyl-4-nitrobenzenesulfonamide 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-Diethyl-4-nitrobenzenesulfonamide?
The CAS number of N,N-Diethyl-4-nitrobenzenesulfonamide is 89840-82-4.
What is the molecular formula of N,N-Diethyl-4-nitrobenzenesulfonamide?
The molecular formula of N,N-Diethyl-4-nitrobenzenesulfonamide is C10H14N2O4S.
What is the molecular weight of N,N-Diethyl-4-nitrobenzenesulfonamide?
The molecular weight of N,N-Diethyl-4-nitrobenzenesulfonamide is 258.07 g/mol.
Where can I buy N,N-Diethyl-4-nitrobenzenesulfonamide?
You can request a quote for N,N-Diethyl-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,N-Diethyl-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.