2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol

C19H14F2O3S — CID 67238543

IUPAC2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2F)c1
InChIInChI=1S/C19H14F2O3S/c1-12-2-9-19(22)17(10-12)16-8-7-15(11-18(16)21)25(23,24)14-5-3-13(20)4-6-14/h2-11,22H,1H3
InChIKeySPASAZIECOADQV-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.48
Rot. Bonds3

About 2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol

2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol (PubChem CID 67238543) has the molecular formula C19H14F2O3S and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol.

Molecular Properties

Compound Name2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol
PubChem CID67238543
Molecular FormulaC19H14F2O3S
Molecular Weight360.38 g/mol
Exact Mass360.06
IUPAC Name2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2F)c1
InChIInChI=1S/C19H14F2O3S/c1-12-2-9-19(22)17(10-12)16-8-7-15(11-18(16)21)25(23,24)14-5-3-13(20)4-6-14/h2-11,22H,1H3
InChIKeySPASAZIECOADQV-UHFFFAOYSA-N
XLogP4.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol?
The IUPAC name of 2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol (CID 67238543) is 2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol.
What is the SMILES notation for 2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol?
The canonical SMILES for 2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol is Cc1ccc(O)c(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2F)c1.
What is the InChIKey of 2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol?
The InChIKey is SPASAZIECOADQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2O3S/c1-12-2-9-19(22)17(10-12)16-8-7-15(11-18(16)21)25(23,24)14-5-3-13(20)4-6-14/h2-11,22H,1H3.
What are the key properties of 2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol?
2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol has a molecular weight of 360.38 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenol is sourced from PubChem (CID 67238543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).