TL;DR: N,N-diethyl-3-(4-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzenesulfonamide (CAS 1017495-72-5) is a chemical compound with molecular formula C26H28N4O4S3 and molecular weight 556.12726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-diethyl-3-[4-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-phenylpyrazol-3-yl]benzenesulfonamide
Also Known As: N,N-diethyl-3-(4-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzenesulfonamide, (Z)-N,N-diethyl-3-(4-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1-phenyl-1H-pyrazol-3-yl)benzenesulfonamide, N,N-diethyl-3-[4-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-phenylpyrazol-3-yl]benzenesulfonamide, C26H28N4O4S3
| Molecular Formula | C26H28N4O4S3 |
| Molecular Weight | 556.12726 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 556.12726 Da |
| Heavy Atoms | 37 |
| Complexity | 944.0 |
| SMILES | CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCOC)C4=CC=CC=C4 |
| InChIKey | QOXUWYPZDFAJKR-QJOMJCCJSA-N |
The XLogP value of 4.3 indicates that N,N-diethyl-3-(4-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting N,N-diethyl-3-(4-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-diethyl-3-(4-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzenesulfonamide has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N,N-diethyl-3-(4-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzenesulfonamide is 1017495-72-5.
The molecular formula of N,N-diethyl-3-(4-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzenesulfonamide is C26H28N4O4S3.
The molecular weight of N,N-diethyl-3-(4-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzenesulfonamide is 556.12726 g/mol.
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