2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride

C7H6ClFO3S — CID 84789817

IUPAC2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
SMILESCc1ccc(O)c(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H6ClFO3S/c1-4-2-3-5(10)7(6(4)9)13(8,11)12/h2-3,10H,1H3
InChIKeyJZXFRFQWKYBQOV-UHFFFAOYSA-N
MW224.64 g/mol
LogP1.77
Rot. Bonds1

About 2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride

2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride (PubChem CID 84789817) has the molecular formula C7H6ClFO3S and a molecular weight of 224.64 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
PubChem CID84789817
Molecular FormulaC7H6ClFO3S
Molecular Weight224.64 g/mol
Exact Mass223.97
IUPAC Name2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
SMILESCc1ccc(O)c(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H6ClFO3S/c1-4-2-3-5(10)7(6(4)9)13(8,11)12/h2-3,10H,1H3
InChIKeyJZXFRFQWKYBQOV-UHFFFAOYSA-N
XLogP1.77
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride?
The IUPAC name of 2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride (CID 84789817) is 2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride is Cc1ccc(O)c(S(=O)(=O)Cl)c1F.
What is the InChIKey of 2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride?
The InChIKey is JZXFRFQWKYBQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO3S/c1-4-2-3-5(10)7(6(4)9)13(8,11)12/h2-3,10H,1H3.
What are the key properties of 2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride?
2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride has a molecular weight of 224.64 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 84789817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).