![4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide structure](/static/products/471/471899-83-9.png)
4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide
TL;DR: 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide (CAS 471899-83-9) is a chemical compound with molecular formula C16H15N3O3S3 and molecular weight 393.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,5-dimethyl-3-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzenesulfonamide
Also Known As: 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide, (E)-4-(2,5-dimethyl-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)benzenesulfonamide, 4-[2,5-dimethyl-3-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzenesulfonamide, 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide
| Molecular Formula | C16H15N3O3S3 |
|---|---|
| Molecular Weight | 393.03 g/mol |
| LogP | 2.23034 |
| Topological Polar Surface Area | 94.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.02756 |
| Heavy Atoms | 25 |
| Complexity | 1018.88464 |
Chemical Identifiers
| CAS Number | 471899-83-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)/C=C/3\C(=O)NC(=S)S3 |
Product Overview
4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide (CAS 471899-83-9), with molecular formula C16H15N3O3S3 and molecular weight 393.03 g/mol. IUPAC: 4-[2,5-dimethyl-3-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzenesulfonamide.
Chemical Property Profile of 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide
Property Insights of 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide
The XLogP value of 2.23034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide. The TPSA of 94.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide. Following Lipinski's Rule of Five, 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide has 2 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 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide?
The CAS number of 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide is 471899-83-9.
What is the molecular formula of 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide?
The molecular formula of 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide is C16H15N3O3S3.
What is the molecular weight of 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide?
The molecular weight of 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide is 393.03 g/mol.
Where can I buy 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide?
You can request a quote for 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.