2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride

C9H9ClF2O4S — CID 84813869

IUPAC2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
SMILESCOc1c(F)cc(CCS(=O)(=O)Cl)c(O)c1F
InChIInChI=1S/C9H9ClF2O4S/c1-16-9-6(11)4-5(8(13)7(9)12)2-3-17(10,14)15/h4,13H,2-3H2,1H3
InChIKeyCHCJUYPEYIIDCS-UHFFFAOYSA-N
MW286.68 g/mol
LogP1.79
Rot. Bonds4

About 2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride

2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride (PubChem CID 84813869) has the molecular formula C9H9ClF2O4S and a molecular weight of 286.68 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
PubChem CID84813869
Molecular FormulaC9H9ClF2O4S
Molecular Weight286.68 g/mol
Exact Mass285.99
IUPAC Name2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
SMILESCOc1c(F)cc(CCS(=O)(=O)Cl)c(O)c1F
InChIInChI=1S/C9H9ClF2O4S/c1-16-9-6(11)4-5(8(13)7(9)12)2-3-17(10,14)15/h4,13H,2-3H2,1H3
InChIKeyCHCJUYPEYIIDCS-UHFFFAOYSA-N
XLogP1.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84812519
2-(2-hydroxy-4-methoxy-3,5-dimethylphenyl)ethanesulfonyl chloride
CID 84811476
(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 117425080
2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride
CID 84805405
(3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride
CID 117434256
2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84711712
4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol
CID 117314991
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride
CID 84808458
2-(2-fluoro-6-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84808465
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 117469959
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117380582

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride (CID 84813869) is 2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride is COc1c(F)cc(CCS(=O)(=O)Cl)c(O)c1F.
What is the InChIKey of 2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride?
The InChIKey is CHCJUYPEYIIDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O4S/c1-16-9-6(11)4-5(8(13)7(9)12)2-3-17(10,14)15/h4,13H,2-3H2,1H3.
What are the key properties of 2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride?
2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride has a molecular weight of 286.68 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 84813869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).