4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide
TL;DR: 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide (CAS 37051-70-0) is a chemical compound with molecular formula C13H11NO3S and molecular weight 261.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
Also Known As: ChemDiv3_003233, N-Tosyl-1,4-benzoquinone imine, 4-Tosylimino-2,5-cyclohexadiene-1-one, IDI1_021143, 4-(Tosylimino)-2,5-cyclohexene-1-one
| Molecular Formula | C13H11NO3S |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | 1.81982 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.04596 |
| Heavy Atoms | 18 |
| Complexity | 646.6928 |
Chemical Identifiers
| CAS Number | 37051-70-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=O)C=C2 |
Product Overview
4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide (CAS 37051-70-0), with molecular formula C13H11NO3S and molecular weight 261.05 g/mol. IUPAC: 4-methyl-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide.
Chemical Property Profile of 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide
Property Insights of 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide
The XLogP value of 1.81982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide. Following Lipinski's Rule of Five, 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide has 0 hydrogen bond donor(s) and 3 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 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide?
The CAS number of 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide is 37051-70-0.
What is the molecular formula of 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide?
The molecular formula of 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide is C13H11NO3S.
What is the molecular weight of 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide?
The molecular weight of 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide is 261.05 g/mol.
Where can I buy 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide?
You can request a quote for 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.