N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide
TL;DR: N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide (CAS 853586-23-9) is a chemical compound with molecular formula C11H14N2O6S2 and molecular weight 334.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide
Also Known As: N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide, F2547-0082, N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-methyl-3-nitrobenzene-1-sulfonamide, N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-3-nitrobenzenesulfonamide
| Molecular Formula | C11H14N2O6S2 |
|---|---|
| Molecular Weight | 334.03 g/mol |
| LogP | 0.4024 |
| Topological Polar Surface Area | 114.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.02933 |
| Heavy Atoms | 21 |
| Complexity | 771.65814 |
Chemical Identifiers
| CAS Number | 853586-23-9 |
|---|---|
| SMILES | CN(C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
Product Overview
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide (CAS 853586-23-9), with molecular formula C11H14N2O6S2 and molecular weight 334.03 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide
Property Insights of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide
The XLogP value of 0.4024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide. The TPSA of 114.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide has 0 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-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide?
The CAS number of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide is 853586-23-9.
What is the molecular formula of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide?
The molecular formula of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide is C11H14N2O6S2.
What is the molecular weight of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide?
The molecular weight of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide is 334.03 g/mol.
Where can I buy N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide?
You can request a quote for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.