N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide
TL;DR: N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide (CAS 941975-05-9) is a chemical compound with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-nitrobenzamide
Also Known As: VU0496919-1, F2761-0081, N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide, N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-nitrobenzamide, N-[3-(1,1-dioxo-1lambda6,2-thiazolidin-2-yl)phenyl]-4-nitrobenzamide
| Molecular Formula | C16H15N3O5S |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 2.387 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.07324 |
| Heavy Atoms | 25 |
| Complexity | 925.0413 |
Chemical Identifiers
| CAS Number | 941975-05-9 |
|---|---|
| SMILES | C1CN(S(=O)(=O)C1)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide (CAS 941975-05-9), with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol. IUPAC: N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-nitrobenzamide.
Chemical Property Profile of N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide
Property Insights of N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide
The XLogP value of 2.387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide 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-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide?
The CAS number of N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide is 941975-05-9.
What is the molecular formula of N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide?
The molecular formula of N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide is C16H15N3O5S.
What is the molecular weight of N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide?
The molecular weight of N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide is 361.07 g/mol.
Where can I buy N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide?
You can request a quote for N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.