1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol

C19H17FO3S — CID 134849167

IUPAC1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H17FO3S/c1-19(21,13-24(22,23)18-10-8-17(20)9-11-18)16-7-6-14-4-2-3-5-15(14)12-16/h2-12,21H,13H2,1H3
InChIKeyGQPHCOQWFXKGTL-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.66
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol

1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol (PubChem CID 134849167) has the molecular formula C19H17FO3S and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol
PubChem CID134849167
Molecular FormulaC19H17FO3S
Molecular Weight344.41 g/mol
Exact Mass344.09
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H17FO3S/c1-19(21,13-24(22,23)18-10-8-17(20)9-11-18)16-7-6-14-4-2-3-5-15(14)12-16/h2-12,21H,13H2,1H3
InChIKeyGQPHCOQWFXKGTL-UHFFFAOYSA-N
XLogP3.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol (CID 134849167) is 1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol is CC(O)(CS(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol?
The InChIKey is GQPHCOQWFXKGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO3S/c1-19(21,13-24(22,23)18-10-8-17(20)9-11-18)16-7-6-14-4-2-3-5-15(14)12-16/h2-12,21H,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol?
1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol has a molecular weight of 344.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-naphthalen-2-ylpropan-2-ol is sourced from PubChem (CID 134849167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).