5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol

C19H15FO3S — CID 174567949

IUPAC5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol
SMILESCc1cc(-c2ccccc2F)c(O)cc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H15FO3S/c1-13-11-16(15-9-5-6-10-17(15)20)18(21)12-19(13)24(22,23)14-7-3-2-4-8-14/h2-12,21H,1H3
InChIKeyLZTCREMWBQMUJD-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.34
Rot. Bonds3

About 5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol

5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol (PubChem CID 174567949) has the molecular formula C19H15FO3S and a molecular weight of 342.39 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol
PubChem CID174567949
Molecular FormulaC19H15FO3S
Molecular Weight342.39 g/mol
Exact Mass342.07
IUPAC Name5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol
SMILESCc1cc(-c2ccccc2F)c(O)cc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H15FO3S/c1-13-11-16(15-9-5-6-10-17(15)20)18(21)12-19(13)24(22,23)14-7-3-2-4-8-14/h2-12,21H,1H3
InChIKeyLZTCREMWBQMUJD-UHFFFAOYSA-N
XLogP4.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol?
The IUPAC name of 5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol (CID 174567949) is 5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol.
What is the SMILES notation for 5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol?
The canonical SMILES for 5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol is Cc1cc(-c2ccccc2F)c(O)cc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol?
The InChIKey is LZTCREMWBQMUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO3S/c1-13-11-16(15-9-5-6-10-17(15)20)18(21)12-19(13)24(22,23)14-7-3-2-4-8-14/h2-12,21H,1H3.
What are the key properties of 5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol?
5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol has a molecular weight of 342.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol is sourced from PubChem (CID 174567949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).