2-benzylsulfonyl-2-(4-fluorophenyl)ethanol

C15H15FO3S — CID 69294013

IUPAC2-benzylsulfonyl-2-(4-fluorophenyl)ethanol
SMILESO=S(=O)(Cc1ccccc1)C(CO)c1ccc(F)cc1
InChIInChI=1S/C15H15FO3S/c16-14-8-6-13(7-9-14)15(10-17)20(18,19)11-12-4-2-1-3-5-12/h1-9,15,17H,10-11H2
InChIKeyUVJXPXGNTCGVMX-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.47
Rot. Bonds5

About 2-benzylsulfonyl-2-(4-fluorophenyl)ethanol

2-benzylsulfonyl-2-(4-fluorophenyl)ethanol (PubChem CID 69294013) has the molecular formula C15H15FO3S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-benzylsulfonyl-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-benzylsulfonyl-2-(4-fluorophenyl)ethanol
PubChem CID69294013
Molecular FormulaC15H15FO3S
Molecular Weight294.35 g/mol
Exact Mass294.07
IUPAC Name2-benzylsulfonyl-2-(4-fluorophenyl)ethanol
SMILESO=S(=O)(Cc1ccccc1)C(CO)c1ccc(F)cc1
InChIInChI=1S/C15H15FO3S/c16-14-8-6-13(7-9-14)15(10-17)20(18,19)11-12-4-2-1-3-5-12/h1-9,15,17H,10-11H2
InChIKeyUVJXPXGNTCGVMX-UHFFFAOYSA-N
XLogP2.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol
CID 69294035
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol
CID 111437333
4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine
CID 99794986
2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361295
2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid
CID 54270409
[nitro(phenyl)methyl]sulfonylmethylbenzene
CID 561365
3-benzylsulfonylbutan-2-one
CID 64644087
[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
CID 9161761
1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8694227

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-2-(4-fluorophenyl)ethanol?
The IUPAC name of 2-benzylsulfonyl-2-(4-fluorophenyl)ethanol (CID 69294013) is 2-benzylsulfonyl-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-benzylsulfonyl-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-benzylsulfonyl-2-(4-fluorophenyl)ethanol is O=S(=O)(Cc1ccccc1)C(CO)c1ccc(F)cc1.
What is the InChIKey of 2-benzylsulfonyl-2-(4-fluorophenyl)ethanol?
The InChIKey is UVJXPXGNTCGVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3S/c16-14-8-6-13(7-9-14)15(10-17)20(18,19)11-12-4-2-1-3-5-12/h1-9,15,17H,10-11H2.
What are the key properties of 2-benzylsulfonyl-2-(4-fluorophenyl)ethanol?
2-benzylsulfonyl-2-(4-fluorophenyl)ethanol has a molecular weight of 294.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 69294013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).