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

C7H6ClFO3S — CID 122199049

IUPAC6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride
SMILESCc1ccc(F)c(S(=O)(=O)Cl)c1O
InChIInChI=1S/C7H6ClFO3S/c1-4-2-3-5(9)7(6(4)10)13(8,11)12/h2-3,10H,1H3
InChIKeyFHUNXFCUKIHSHS-UHFFFAOYSA-N
MW224.64 g/mol
LogP1.77
Rot. Bonds1

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

6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride (PubChem CID 122199049) has the molecular formula C7H6ClFO3S and a molecular weight of 224.64 g/mol. Its IUPAC name is 6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride
PubChem CID122199049
Molecular FormulaC7H6ClFO3S
Molecular Weight224.64 g/mol
Exact Mass223.97
IUPAC Name6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride
SMILESCc1ccc(F)c(S(=O)(=O)Cl)c1O
InChIInChI=1S/C7H6ClFO3S/c1-4-2-3-5(9)7(6(4)10)13(8,11)12/h2-3,10H,1H3
InChIKeyFHUNXFCUKIHSHS-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

2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
CID 84789817
2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride
CID 130929622
6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride
CID 130776377
(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
CID 117349733
2-chloro-3,6-dimethylbenzenesulfonyl chloride
CID 84799463
2-amino-3-fluoro-6-methylphenol
CID 131278270
6-fluoro-2,3-dimethoxybenzenesulfonyl chloride
CID 84708314
2,6-difluoro-3-methylphenol;ethane
CID 143572521
3,6-difluoro-2-nitrobenzenesulfonyl chloride
CID 131500772
3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride
CID 84800602
3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride
CID 123478222
4-chloro-2,6-difluorobenzenesulfonyl chloride
CID 50998405

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride?
The IUPAC name of 6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride (CID 122199049) is 6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride is Cc1ccc(F)c(S(=O)(=O)Cl)c1O.
What is the InChIKey of 6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride?
The InChIKey is FHUNXFCUKIHSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO3S/c1-4-2-3-5(9)7(6(4)10)13(8,11)12/h2-3,10H,1H3.
What are the key properties of 6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride?
6-fluoro-2-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 6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 122199049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).