2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride

C8H7FO4S — CID 115030433

IUPAC2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride
SMILESO=C(CS(=O)(=O)F)c1ccccc1O
InChIInChI=1S/C8H7FO4S/c9-14(12,13)5-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2
InChIKeyIWTBSJNATNOQIT-UHFFFAOYSA-N
MW218.20 g/mol
LogP0.87
Rot. Bonds3

About 2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride

2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride (PubChem CID 115030433) has the molecular formula C8H7FO4S and a molecular weight of 218.20 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride
PubChem CID115030433
Molecular FormulaC8H7FO4S
Molecular Weight218.20 g/mol
Exact Mass218.00
IUPAC Name2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride
SMILESO=C(CS(=O)(=O)F)c1ccccc1O
InChIInChI=1S/C8H7FO4S/c9-14(12,13)5-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2
InChIKeyIWTBSJNATNOQIT-UHFFFAOYSA-N
XLogP0.87
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride with MolForge

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

Launch Full Analysis

Related Compounds

1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535
1-(2-hydroxyphenyl)but-3-en-1-one
CID 68794412
2-hydroxybenzenecarbothioic S-acid;manganese
CID 88742356
dilithium;hydride;2-hydroxybenzoic acid
CID 173002091
dilithium bis(2-hydroxythiobenzate)
CID 135841609
2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid
CID 10729737
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone
CID 62917039
1-(2-hydroxyphenyl)-3-[6-[3-(2-hydroxyphenyl)-3-oxopropanoyl]-2-pyridinyl]propane-1,3-dione
CID 102441165
2-[4-(hydroxymethyl)phenyl]-1-(2-hydroxyphenyl)ethanone
CID 161011809
1-(2-hydroxyphenyl)pent-4-en-1-one
CID 15394978

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride?
The IUPAC name of 2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride (CID 115030433) is 2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride.
What is the SMILES notation for 2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride?
The canonical SMILES for 2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride is O=C(CS(=O)(=O)F)c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride?
The InChIKey is IWTBSJNATNOQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO4S/c9-14(12,13)5-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2.
What are the key properties of 2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride?
2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride has a molecular weight of 218.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride is sourced from PubChem (CID 115030433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).