TL;DR: 3-(4-Methylphenyl)sulfonyl-1-phenylpyrrolo[3,2-b]quinoxalin-2-amine (CAS 124982-76-9) is a chemical compound with molecular formula C23H18N4O2S and molecular weight 414.11505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylphenyl)sulfonyl-1-phenylpyrrolo[3,2-b]quinoxalin-2-amine
Also Known As: 1-phenyl-3-tosyl-1H-pyrrolo[2,3-b]quinoxalin-2-amine, 1-Phenyl-3-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-ylamine, 3-(4-methylphenyl)sulfonyl-1-phenylpyrrolo[3,2-b]quinoxalin-2-amine, 3-[(4-methylphenyl)sulfonyl]-1-phenyl-1H-pyrrolo[2,3-b]quinoxalin-2-amine
| Molecular Formula | C23H18N4O2S |
| Molecular Weight | 414.11505 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 99.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.11505 Da |
| Heavy Atoms | 30 |
| Complexity | 696.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=CC=C5)N |
| InChIKey | DSZZSTSEBGUYJP-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 3-(4-Methylphenyl)sulfonyl-1-phenylpyrrolo[3,2-b]quinoxalin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methylphenyl)sulfonyl-1-phenylpyrrolo[3,2-b]quinoxalin-2-amine. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)sulfonyl-1-phenylpyrrolo[3,2-b]quinoxalin-2-amine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-Methylphenyl)sulfonyl-1-phenylpyrrolo[3,2-b]quinoxalin-2-amine is 124982-76-9.
The molecular formula of 3-(4-Methylphenyl)sulfonyl-1-phenylpyrrolo[3,2-b]quinoxalin-2-amine is C23H18N4O2S.
The molecular weight of 3-(4-Methylphenyl)sulfonyl-1-phenylpyrrolo[3,2-b]quinoxalin-2-amine is 414.11505 g/mol.
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