2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride

C8H7Cl2FO3S — CID 84809927

IUPAC2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1c(F)cc(O)cc1Cl
InChIInChI=1S/C8H7Cl2FO3S/c9-7-3-5(12)4-8(11)6(7)1-2-15(10,13)14/h3-4,12H,1-2H2
InChIKeyACKRDXZBRZGDGU-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.30
Rot. Bonds3

About 2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride

2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride (PubChem CID 84809927) has the molecular formula C8H7Cl2FO3S and a molecular weight of 273.11 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride
PubChem CID84809927
Molecular FormulaC8H7Cl2FO3S
Molecular Weight273.11 g/mol
Exact Mass271.95
IUPAC Name2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1c(F)cc(O)cc1Cl
InChIInChI=1S/C8H7Cl2FO3S/c9-7-3-5(12)4-8(11)6(7)1-2-15(10,13)14/h3-4,12H,1-2H2
InChIKeyACKRDXZBRZGDGU-UHFFFAOYSA-N
XLogP2.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2-fluoro-4-methylphenol
CID 84651131
3-Chloro-4-ethenyl-2-fluorophenol
CID 122207273
3,4-Bis(2-Chloro-4-Hydroxyphenyl)-1h-1lambda~6~-Thiophene-1,1-Dione
CID 118988380
3-Chloro-4-(2,2,2-trifluoroethylsulfanylmethyl)phenol
CID 56634489
3-Chloro-1-ethylsulfanylperoxy-2-fluoro-4-methylbenzene
CID 58964768
3-Chloro-5-fluoro-4-methylphenol
CID 84651127
[3-Chloro-4-(2-hydroxyethyl)phenyl] trifluoromethanesulfonate
CID 86013382
[3-Chloro-4-(3-chloroprop-1-en-2-yl)phenyl] trifluoromethanesulfonate
CID 117854712
[3-Chloro-4-(trifluoromethyl)phenyl] methanesulfonate
CID 118589685
(3-Chloro-4-methylphenyl) trifluoromethanesulfonate
CID 122235250
[3-Chloro-5-fluoro-4-(trifluoromethyl)phenyl] trifluoromethanesulfonate
CID 155128177
3,5-Dichloro-4-ethyl-2-fluorophenol
CID 170078086

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride (CID 84809927) is 2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride is O=S(=O)(Cl)CCc1c(F)cc(O)cc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride?
The InChIKey is ACKRDXZBRZGDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO3S/c9-7-3-5(12)4-8(11)6(7)1-2-15(10,13)14/h3-4,12H,1-2H2.
What are the key properties of 2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride?
2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride has a molecular weight of 273.11 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoro-4-hydroxyphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 84809927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).