methyl 2-fluorosulfonylbenzoate

C8H7FO4S — CID 4114764

IUPACmethyl 2-fluorosulfonylbenzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)F
InChIInChI=1S/C8H7FO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3
InChIKeyLLQSKDZICCVCEB-UHFFFAOYSA-N
MW218.20 g/mol
LogP1.13
Rot. Bonds2

About methyl 2-fluorosulfonylbenzoate

methyl 2-fluorosulfonylbenzoate (PubChem CID 4114764) has the molecular formula C8H7FO4S and a molecular weight of 218.20 g/mol. Its IUPAC name is methyl 2-fluorosulfonylbenzoate.

Molecular Properties

Compound Namemethyl 2-fluorosulfonylbenzoate
PubChem CID4114764
Molecular FormulaC8H7FO4S
Molecular Weight218.20 g/mol
Exact Mass218.00
IUPAC Namemethyl 2-fluorosulfonylbenzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)F
InChIInChI=1S/C8H7FO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3
InChIKeyLLQSKDZICCVCEB-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluorosulfonylbenzoate?
The IUPAC name of methyl 2-fluorosulfonylbenzoate (CID 4114764) is methyl 2-fluorosulfonylbenzoate.
What is the SMILES notation for methyl 2-fluorosulfonylbenzoate?
The canonical SMILES for methyl 2-fluorosulfonylbenzoate is COC(=O)c1ccccc1S(=O)(=O)F.
What is the InChIKey of methyl 2-fluorosulfonylbenzoate?
The InChIKey is LLQSKDZICCVCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3.
What are the key properties of methyl 2-fluorosulfonylbenzoate?
methyl 2-fluorosulfonylbenzoate 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 methyl 2-fluorosulfonylbenzoate is sourced from PubChem (CID 4114764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).