N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
TL;DR: N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide (CAS 600161-60-2) is a chemical compound with molecular formula C16H19N3O6S2 and molecular weight 413.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
Also Known As: N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide, diethyl[(4-{[(4-nitrophenyl)sulfonyl]amino}phenyl)sulfonyl]amine, N,N-diethyl-4-{[(4-nitrophenyl)sulfonyl]amino}benzenesulfonamide, N,N-DIETHYL-4-{[(4-NITROPHENYL)SULFONYL]AMINO}-1-BENZENESULFONAMIDE
| Molecular Formula | C16H19N3O6S2 |
|---|---|
| Molecular Weight | 413.07 g/mol |
| LogP | 2.4261 |
| Topological Polar Surface Area | 126.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.07153 |
| Heavy Atoms | 27 |
| Complexity | 1012.8302 |
Chemical Identifiers
| CAS Number | 600161-60-2 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide (CAS 600161-60-2), with molecular formula C16H19N3O6S2 and molecular weight 413.07 g/mol. IUPAC: N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide.
Chemical Property Profile of N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
Property Insights of N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
The XLogP value of 2.4261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide. The TPSA of 126.69 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide. Following Lipinski's Rule of Five, N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide has 1 hydrogen bond donor(s) and 6 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-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide?
The CAS number of N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide is 600161-60-2.
What is the molecular formula of N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide?
The molecular formula of N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide is C16H19N3O6S2.
What is the molecular weight of N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide?
The molecular weight of N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide is 413.07 g/mol.
Where can I buy N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide?
You can request a quote for N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]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-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.