(5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride

C7H5Cl2FO3S — CID 84806046

IUPAC(5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(Cl)c(O)cc1F
InChIInChI=1S/C7H5Cl2FO3S/c8-5-1-4(3-14(9,12)13)6(10)2-7(5)11/h1-2,11H,3H2
InChIKeyKMWKEFHPVINGGR-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.25
Rot. Bonds2

About (5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride

(5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride (PubChem CID 84806046) has the molecular formula C7H5Cl2FO3S and a molecular weight of 259.09 g/mol. Its IUPAC name is (5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride
PubChem CID84806046
Molecular FormulaC7H5Cl2FO3S
Molecular Weight259.09 g/mol
Exact Mass257.93
IUPAC Name(5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(Cl)c(O)cc1F
InChIInChI=1S/C7H5Cl2FO3S/c8-5-1-4(3-14(9,12)13)6(10)2-7(5)11/h1-2,11H,3H2
InChIKeyKMWKEFHPVINGGR-UHFFFAOYSA-N
XLogP2.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride?
The IUPAC name of (5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride (CID 84806046) is (5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1cc(Cl)c(O)cc1F.
What is the InChIKey of (5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride?
The InChIKey is KMWKEFHPVINGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FO3S/c8-5-1-4(3-14(9,12)13)6(10)2-7(5)11/h1-2,11H,3H2.
What are the key properties of (5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride?
(5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride has a molecular weight of 259.09 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluoro-4-hydroxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84806046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).