2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol

C14H13FO3S — CID 12920544

IUPAC2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
SMILESO=S(=O)(CC(O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H13FO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9,14,16H,10H2
InChIKeyCNKCABZLVRAGDF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.33
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol

2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol (PubChem CID 12920544) has the molecular formula C14H13FO3S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
PubChem CID12920544
Molecular FormulaC14H13FO3S
Molecular Weight280.32 g/mol
Exact Mass280.06
IUPAC Name2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
SMILESO=S(=O)(CC(O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H13FO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9,14,16H,10H2
InChIKeyCNKCABZLVRAGDF-UHFFFAOYSA-N
XLogP2.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol
CID 72829286
2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol
CID 62917385
3-(benzenesulfonyl)-1,2-bis(4-fluorophenyl)propan-1-one
CID 122231061
1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 3799276
(2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 1474072
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol
CID 47559298
1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585286
[2-(benzenesulfonyl)-1-fluoroethyl]benzene
CID 72723300
1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol
CID 111437334
(2S)-3-(4-fluorophenyl)sulfonyl-2-methylpropanoic acid
CID 28753239
[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]azanium
CID 38989030

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol (CID 12920544) is 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol is O=S(=O)(CC(O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol?
The InChIKey is CNKCABZLVRAGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9,14,16H,10H2.
What are the key properties of 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol?
2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol has a molecular weight of 280.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 12920544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).