4-fluoro-2-hydroxybenzenesulfonyl chloride

C6H4ClFO3S — CID 55279604

IUPAC4-fluoro-2-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)cc1O
InChIInChI=1S/C6H4ClFO3S/c7-12(10,11)6-2-1-4(8)3-5(6)9/h1-3,9H
InChIKeyXLIXUUYLEAKRIP-UHFFFAOYSA-N
MW210.61 g/mol
LogP1.46
Rot. Bonds1

About 4-fluoro-2-hydroxybenzenesulfonyl chloride

4-fluoro-2-hydroxybenzenesulfonyl chloride (PubChem CID 55279604) has the molecular formula C6H4ClFO3S and a molecular weight of 210.61 g/mol. Its IUPAC name is 4-fluoro-2-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-2-hydroxybenzenesulfonyl chloride
PubChem CID55279604
Molecular FormulaC6H4ClFO3S
Molecular Weight210.61 g/mol
Exact Mass209.96
IUPAC Name4-fluoro-2-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)cc1O
InChIInChI=1S/C6H4ClFO3S/c7-12(10,11)6-2-1-4(8)3-5(6)9/h1-3,9H
InChIKeyXLIXUUYLEAKRIP-UHFFFAOYSA-N
XLogP1.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.61
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxybenzenesulfonyl chloride?
The IUPAC name of 4-fluoro-2-hydroxybenzenesulfonyl chloride (CID 55279604) is 4-fluoro-2-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-2-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-2-hydroxybenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxybenzenesulfonyl chloride?
The InChIKey is XLIXUUYLEAKRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFO3S/c7-12(10,11)6-2-1-4(8)3-5(6)9/h1-3,9H.
What are the key properties of 4-fluoro-2-hydroxybenzenesulfonyl chloride?
4-fluoro-2-hydroxybenzenesulfonyl chloride has a molecular weight of 210.61 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 55279604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).