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

C7H6ClFO3S — CID 122199051

IUPAC3-fluoro-2-hydroxy-6-methylbenzenesulfonyl chloride
SMILESCc1ccc(F)c(O)c1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClFO3S/c1-4-2-3-5(9)6(10)7(4)13(8,11)12/h2-3,10H,1H3
InChIKeyQPISZJKBBHHYFC-UHFFFAOYSA-N
MW224.64 g/mol
LogP1.77
Rot. Bonds1

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

3-fluoro-2-hydroxy-6-methylbenzenesulfonyl chloride (PubChem CID 122199051) has the molecular formula C7H6ClFO3S and a molecular weight of 224.64 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-6-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-6-methylbenzenesulfonyl chloride
PubChem CID122199051
Molecular FormulaC7H6ClFO3S
Molecular Weight224.64 g/mol
Exact Mass223.97
IUPAC Name3-fluoro-2-hydroxy-6-methylbenzenesulfonyl chloride
SMILESCc1ccc(F)c(O)c1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClFO3S/c1-4-2-3-5(9)6(10)7(4)13(8,11)12/h2-3,10H,1H3
InChIKeyQPISZJKBBHHYFC-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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Related Compounds

4-Hydroxy-2-methylbenzenesulfonic acid
CID 81554
2-Hydroxy-4-methylbenzenesulfonic acid
CID 89674
2-Hydroxy-6-methylbenzenesulfonic acid
CID 3016392
2-Hydroxy-5-methylbenzene-1-sulfonyl chloride
CID 16772627
4-Hydroxy-2-methylbenzene-1-sulfonamide
CID 45080608
2-Hydroxy-3-methylbenzenesulfonyl chloride
CID 55279841
Benzenesulfonyl fluoride, 2-hydroxy-5-methyl-
CID 305692
4-Hydroxy-2-methyl-benzenesulfonic acid
CID 23693798
2-Fluoro-6-hydroxybenzene-1-sulfonyl chloride
CID 55279601
4-Fluoro-2-hydroxybenzene-1-sulfonyl chloride
CID 55279604
2-Hydroxy-6-methylbenzene-1-sulfonyl chloride
CID 55279952
2-Hydroxy-5-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 99963996

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-6-methylbenzenesulfonyl chloride?
The IUPAC name of 3-fluoro-2-hydroxy-6-methylbenzenesulfonyl chloride (CID 122199051) is 3-fluoro-2-hydroxy-6-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-2-hydroxy-6-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-2-hydroxy-6-methylbenzenesulfonyl chloride is Cc1ccc(F)c(O)c1S(=O)(=O)Cl.
What is the InChIKey of 3-fluoro-2-hydroxy-6-methylbenzenesulfonyl chloride?
The InChIKey is QPISZJKBBHHYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO3S/c1-4-2-3-5(9)6(10)7(4)13(8,11)12/h2-3,10H,1H3.
What are the key properties of 3-fluoro-2-hydroxy-6-methylbenzenesulfonyl chloride?
3-fluoro-2-hydroxy-6-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 3-fluoro-2-hydroxy-6-methylbenzenesulfonyl chloride is sourced from PubChem (CID 122199051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).