methyl 5-fluorosulfonyl-2-hydroxybenzoate

C8H7FO5S — CID 122236139

IUPACmethyl 5-fluorosulfonyl-2-hydroxybenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)F)ccc1O
InChIInChI=1S/C8H7FO5S/c1-14-8(11)6-4-5(15(9,12)13)2-3-7(6)10/h2-4,10H,1H3
InChIKeyAZJGDYOQCBVOGQ-UHFFFAOYSA-N
MW234.20 g/mol
LogP0.84
Rot. Bonds2

About methyl 5-fluorosulfonyl-2-hydroxybenzoate

methyl 5-fluorosulfonyl-2-hydroxybenzoate (PubChem CID 122236139) has the molecular formula C8H7FO5S and a molecular weight of 234.20 g/mol. Its IUPAC name is methyl 5-fluorosulfonyl-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-fluorosulfonyl-2-hydroxybenzoate
PubChem CID122236139
Molecular FormulaC8H7FO5S
Molecular Weight234.20 g/mol
Exact Mass234.00
IUPAC Namemethyl 5-fluorosulfonyl-2-hydroxybenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)F)ccc1O
InChIInChI=1S/C8H7FO5S/c1-14-8(11)6-4-5(15(9,12)13)2-3-7(6)10/h2-4,10H,1H3
InChIKeyAZJGDYOQCBVOGQ-UHFFFAOYSA-N
XLogP0.84
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluorosulfonyl-2-hydroxybenzoate?
The IUPAC name of methyl 5-fluorosulfonyl-2-hydroxybenzoate (CID 122236139) is methyl 5-fluorosulfonyl-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-fluorosulfonyl-2-hydroxybenzoate?
The canonical SMILES for methyl 5-fluorosulfonyl-2-hydroxybenzoate is COC(=O)c1cc(S(=O)(=O)F)ccc1O.
What is the InChIKey of methyl 5-fluorosulfonyl-2-hydroxybenzoate?
The InChIKey is AZJGDYOQCBVOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO5S/c1-14-8(11)6-4-5(15(9,12)13)2-3-7(6)10/h2-4,10H,1H3.
What are the key properties of methyl 5-fluorosulfonyl-2-hydroxybenzoate?
methyl 5-fluorosulfonyl-2-hydroxybenzoate has a molecular weight of 234.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluorosulfonyl-2-hydroxybenzoate is sourced from PubChem (CID 122236139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).