TL;DR: 3-(4-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide (CAS 1010871-39-2) is a chemical compound with molecular formula C25H26N4O4S3 and molecular weight 542.11163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[(Z)-[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-phenylpyrazol-3-yl]-N,N-dimethylbenzenesulfonamide
Also Known As: 3-(4-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide, (Z)-3-(4-((3-(3-methoxypropyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide, 3-[4-[(Z)-[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-phenylpyrazol-3-yl]-N,N-dimethylbenzenesulfonamide
| Molecular Formula | C25H26N4O4S3 |
| Molecular Weight | 542.11163 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.11163 Da |
| Heavy Atoms | 36 |
| Complexity | 930.0 |
| SMILES | CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCCOC)C4=CC=CC=C4 |
| InChIKey | KBLBASAMYHTNFI-JWGURIENSA-N |
The XLogP value of 4.0 indicates that 3-(4-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting 3-(4-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(4-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(4-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide is 1010871-39-2.
The molecular formula of 3-(4-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide is C25H26N4O4S3.
The molecular weight of 3-(4-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide is 542.11163 g/mol.
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