2-fluorosulfonyloxybenzoic acid

C7H5FO5S — CID 130224552

IUPAC2-fluorosulfonyloxybenzoic acid
SMILESO=C(O)c1ccccc1OS(=O)(=O)F
InChIInChI=1S/C7H5FO5S/c8-14(11,12)13-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKeyJZORSIADFBRSCF-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.98
Rot. Bonds3

About 2-fluorosulfonyloxybenzoic acid

2-fluorosulfonyloxybenzoic acid (PubChem CID 130224552) has the molecular formula C7H5FO5S and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-fluorosulfonyloxybenzoic acid.

Molecular Properties

Compound Name2-fluorosulfonyloxybenzoic acid
PubChem CID130224552
Molecular FormulaC7H5FO5S
Molecular Weight220.18 g/mol
Exact Mass219.98
IUPAC Name2-fluorosulfonyloxybenzoic acid
SMILESO=C(O)c1ccccc1OS(=O)(=O)F
InChIInChI=1S/C7H5FO5S/c8-14(11,12)13-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKeyJZORSIADFBRSCF-UHFFFAOYSA-N
XLogP0.98
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-sulfooxybenzoic acid;sulfuric acid
CID 68615389
formic acid;2-sulfooxybenzoic acid
CID 175322032
2-ethenylsulfonyloxybenzoic acid
CID 90205575
2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene
CID 154879996
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-(2-phenylethenoxy)benzoic acid
CID 67839973
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2-(fluoromethoxy)benzoic acid;hydrochloride
CID 141112682
(2S)-2-amino-6-[(2-fluorosulfonyloxybenzoyl)amino]hexanoic acid
CID 170341158
dilithium;hydride;phthalic acid
CID 173011412
benzenesulfonic acid;phthalic acid
CID 175224750
sodium;hydrogen sulfate;phthalic acid
CID 161196776

Frequently Asked Questions

What is the IUPAC name of 2-fluorosulfonyloxybenzoic acid?
The IUPAC name of 2-fluorosulfonyloxybenzoic acid (CID 130224552) is 2-fluorosulfonyloxybenzoic acid.
What is the SMILES notation for 2-fluorosulfonyloxybenzoic acid?
The canonical SMILES for 2-fluorosulfonyloxybenzoic acid is O=C(O)c1ccccc1OS(=O)(=O)F.
What is the InChIKey of 2-fluorosulfonyloxybenzoic acid?
The InChIKey is JZORSIADFBRSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO5S/c8-14(11,12)13-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10).
What are the key properties of 2-fluorosulfonyloxybenzoic acid?
2-fluorosulfonyloxybenzoic acid has a molecular weight of 220.18 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorosulfonyloxybenzoic acid is sourced from PubChem (CID 130224552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).