TL;DR: 3-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-diethylbenzenesulfonamide (CAS 1008885-16-2) is a chemical compound with molecular formula C29H26N6O2S and molecular weight 522.1838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-phenylpyrazol-3-yl]-N,N-diethylbenzenesulfonamide
Also Known As: 3-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-diethylbenzenesulfonamide, (E)-3-(4-(2-(1H-benzo[d]imidazol-2-yl)-2-cyanovinyl)-1-phenyl-1H-pyrazol-3-yl)-N,N-diethylbenzenesulfonamide, 3-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-phenylpyrazol-3-yl]-N,N-diethylbenzenesulfonamide
| Molecular Formula | C29H26N6O2S |
| Molecular Weight | 522.1838 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 522.1838 Da |
| Heavy Atoms | 38 |
| Complexity | 977.0 |
| SMILES | CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4N3)C5=CC=CC=C5 |
| InChIKey | ITKXQADJDRUZPP-OQKWZONESA-N |
The XLogP value of 4.8 indicates that 3-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-diethylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-diethylbenzenesulfonamide. Following Lipinski's Rule of Five, 3-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-diethylbenzenesulfonamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-diethylbenzenesulfonamide is 1008885-16-2.
The molecular formula of 3-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-diethylbenzenesulfonamide is C29H26N6O2S.
The molecular weight of 3-{4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-diethylbenzenesulfonamide is 522.1838 g/mol.
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