4-fluorosulfonyl-2-hydroxybenzoic acid

C7H5FO5S — CID 15124193

IUPAC4-fluorosulfonyl-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)F)cc1O
InChIInChI=1S/C7H5FO5S/c8-14(12,13)4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
InChIKeyZMVAMTPOVVNKFU-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.75
Rot. Bonds2

About 4-fluorosulfonyl-2-hydroxybenzoic acid

4-fluorosulfonyl-2-hydroxybenzoic acid (PubChem CID 15124193) has the molecular formula C7H5FO5S and a molecular weight of 220.18 g/mol. Its IUPAC name is 4-fluorosulfonyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-fluorosulfonyl-2-hydroxybenzoic acid
PubChem CID15124193
Molecular FormulaC7H5FO5S
Molecular Weight220.18 g/mol
Exact Mass219.98
IUPAC Name4-fluorosulfonyl-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)F)cc1O
InChIInChI=1S/C7H5FO5S/c8-14(12,13)4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
InChIKeyZMVAMTPOVVNKFU-UHFFFAOYSA-N
XLogP0.75
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluorosulfonyl-2-hydroxybenzoic acid?
The IUPAC name of 4-fluorosulfonyl-2-hydroxybenzoic acid (CID 15124193) is 4-fluorosulfonyl-2-hydroxybenzoic acid.
What is the SMILES notation for 4-fluorosulfonyl-2-hydroxybenzoic acid?
The canonical SMILES for 4-fluorosulfonyl-2-hydroxybenzoic acid is O=C(O)c1ccc(S(=O)(=O)F)cc1O.
What is the InChIKey of 4-fluorosulfonyl-2-hydroxybenzoic acid?
The InChIKey is ZMVAMTPOVVNKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO5S/c8-14(12,13)4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11).
What are the key properties of 4-fluorosulfonyl-2-hydroxybenzoic acid?
4-fluorosulfonyl-2-hydroxybenzoic acid has a molecular weight of 220.18 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorosulfonyl-2-hydroxybenzoic acid is sourced from PubChem (CID 15124193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).