TL;DR: [1-(4-Methylphenyl)sulfonylpyrrol-2-yl]methanol (CAS 102619-06-7) is a chemical compound with molecular formula C12H13NO3S and molecular weight 251.06161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol
Also Known As: [1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol|[1-(4-methylphenylsulfonyl)pyrrol-2-yl]methanol|MLS001242750|CHEMBL1723010|SMR000841512
| Molecular Formula | C12H13NO3S |
| Molecular Weight | 251.06161 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.06161 Da |
| Heavy Atoms | 17 |
| Complexity | 341.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2CO |
| InChIKey | SMJZZABNGROEKR-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(4-Methylphenyl)sulfonylpyrrol-2-yl]methanol. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(4-Methylphenyl)sulfonylpyrrol-2-yl]methanol. Following Lipinski's Rule of Five, [1-(4-Methylphenyl)sulfonylpyrrol-2-yl]methanol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [1-(4-Methylphenyl)sulfonylpyrrol-2-yl]methanol is 102619-06-7.
The molecular formula of [1-(4-Methylphenyl)sulfonylpyrrol-2-yl]methanol is C12H13NO3S.
The molecular weight of [1-(4-Methylphenyl)sulfonylpyrrol-2-yl]methanol is 251.06161 g/mol.
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