3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride

C7H6ClFO3S — CID 84689378

IUPAC3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(CF)c1O
InChIInChI=1S/C7H6ClFO3S/c8-13(11,12)6-3-1-2-5(4-9)7(6)10/h1-3,10H,4H2
InChIKeyDKNOKCRGNMVPKL-UHFFFAOYSA-N
MW224.64 g/mol
LogP1.79
Rot. Bonds2

About 3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride

3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride (PubChem CID 84689378) has the molecular formula C7H6ClFO3S and a molecular weight of 224.64 g/mol. Its IUPAC name is 3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride
PubChem CID84689378
Molecular FormulaC7H6ClFO3S
Molecular Weight224.64 g/mol
Exact Mass223.97
IUPAC Name3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(CF)c1O
InChIInChI=1S/C7H6ClFO3S/c8-13(11,12)6-3-1-2-5(4-9)7(6)10/h1-3,10H,4H2
InChIKeyDKNOKCRGNMVPKL-UHFFFAOYSA-N
XLogP1.79
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride?
The IUPAC name of 3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride (CID 84689378) is 3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(CF)c1O.
What is the InChIKey of 3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride?
The InChIKey is DKNOKCRGNMVPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO3S/c8-13(11,12)6-3-1-2-5(4-9)7(6)10/h1-3,10H,4H2.
What are the key properties of 3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride?
3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride has a molecular weight of 224.64 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-2-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 84689378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).