2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone

C14H11FO4S — CID 106584676

IUPAC2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone
SMILESO=C(CS(=O)(=O)c1cccc(F)c1)c1ccc(O)cc1
InChIInChI=1S/C14H11FO4S/c15-11-2-1-3-13(8-11)20(18,19)9-14(17)10-4-6-12(16)7-5-10/h1-8,16H,9H2
InChIKeyJSFIOPCGRLWZNG-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.19
Rot. Bonds4

About 2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone

2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone (PubChem CID 106584676) has the molecular formula C14H11FO4S and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone
PubChem CID106584676
Molecular FormulaC14H11FO4S
Molecular Weight294.30 g/mol
Exact Mass294.04
IUPAC Name2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone
SMILESO=C(CS(=O)(=O)c1cccc(F)c1)c1ccc(O)cc1
InChIInChI=1S/C14H11FO4S/c15-11-2-1-3-13(8-11)20(18,19)9-14(17)10-4-6-12(16)7-5-10/h1-8,16H,9H2
InChIKeyJSFIOPCGRLWZNG-UHFFFAOYSA-N
XLogP2.19
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone
CID 64636377
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-fluorophenyl)sulfonylethanone
CID 103740941
2-(3-bromophenyl)sulfonyl-1-phenylethanone
CID 64635813
(E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine
CID 170972345
1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone
CID 106584672
1-fluoro-3-(iodomethylsulfonyl)benzene
CID 163495375
2-(benzenesulfonyl)-1-phenylethanone;fluoroform
CID 175573425
2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone
CID 64637514
1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone
CID 64641583
3-bromo-4-[(3-fluorophenyl)sulfonylmethyl]benzoic acid
CID 102766383
2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone
CID 64642512
2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone
CID 64635764

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone (CID 106584676) is 2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone is O=C(CS(=O)(=O)c1cccc(F)c1)c1ccc(O)cc1.
What is the InChIKey of 2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone?
The InChIKey is JSFIOPCGRLWZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO4S/c15-11-2-1-3-13(8-11)20(18,19)9-14(17)10-4-6-12(16)7-5-10/h1-8,16H,9H2.
What are the key properties of 2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone?
2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone has a molecular weight of 294.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 106584676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).