fluoro 2-methylsulfonylbenzoate

C8H7FO4S — CID 118224514

IUPACfluoro 2-methylsulfonylbenzoate
SMILESCS(=O)(=O)c1ccccc1C(=O)OF
InChIInChI=1S/C8H7FO4S/c1-14(11,12)7-5-3-2-4-6(7)8(10)13-9/h2-5H,1H3
InChIKeyZYFVDYZNJCUWTH-UHFFFAOYSA-N
MW218.20 g/mol
LogP1.13
Rot. Bonds2

About fluoro 2-methylsulfonylbenzoate

fluoro 2-methylsulfonylbenzoate (PubChem CID 118224514) has the molecular formula C8H7FO4S and a molecular weight of 218.20 g/mol. Its IUPAC name is fluoro 2-methylsulfonylbenzoate.

Molecular Properties

Compound Namefluoro 2-methylsulfonylbenzoate
PubChem CID118224514
Molecular FormulaC8H7FO4S
Molecular Weight218.20 g/mol
Exact Mass218.00
IUPAC Namefluoro 2-methylsulfonylbenzoate
SMILESCS(=O)(=O)c1ccccc1C(=O)OF
InChIInChI=1S/C8H7FO4S/c1-14(11,12)7-5-3-2-4-6(7)8(10)13-9/h2-5H,1H3
InChIKeyZYFVDYZNJCUWTH-UHFFFAOYSA-N
XLogP1.13
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-2-methylsulfonylbenzamide
CID 20613410
[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 8976766
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-methylsulfonylbenzoate
CID 39939300
3-cyanopropyl 2-methylsulfonylbenzoate
CID 43022219
1-(2-chlorophenyl)ethyl 2-methylsulfonylbenzoate
CID 18083137
fluoro 2,3-dimethylbenzoate
CID 174427719
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 8568876
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 7724844
2-(2-methylphenoxy)ethyl 2-methylsulfonylbenzoate
CID 7724426
(2-oxo-2-pyrrolidin-1-ylethyl) 2-methylsulfonylbenzoate
CID 7725460
[2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7724769
[2-(3,5-difluoroanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18127503

Frequently Asked Questions

What is the IUPAC name of fluoro 2-methylsulfonylbenzoate?
The IUPAC name of fluoro 2-methylsulfonylbenzoate (CID 118224514) is fluoro 2-methylsulfonylbenzoate.
What is the SMILES notation for fluoro 2-methylsulfonylbenzoate?
The canonical SMILES for fluoro 2-methylsulfonylbenzoate is CS(=O)(=O)c1ccccc1C(=O)OF.
What is the InChIKey of fluoro 2-methylsulfonylbenzoate?
The InChIKey is ZYFVDYZNJCUWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO4S/c1-14(11,12)7-5-3-2-4-6(7)8(10)13-9/h2-5H,1H3.
What are the key properties of fluoro 2-methylsulfonylbenzoate?
fluoro 2-methylsulfonylbenzoate has a molecular weight of 218.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methylsulfonylbenzoate is sourced from PubChem (CID 118224514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).