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

C7H5Cl2FO3S — CID 117400756

IUPAC(3-chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(F)c(O)c(Cl)c1
InChIInChI=1S/C7H5Cl2FO3S/c8-5-1-4(3-14(9,12)13)2-6(10)7(5)11/h1-2,11H,3H2
InChIKeyYNNGSTVXUQIXIG-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.25
Rot. Bonds2

About (3-chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride

(3-chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride (PubChem CID 117400756) has the molecular formula C7H5Cl2FO3S and a molecular weight of 259.09 g/mol. Its IUPAC name is (3-chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride
PubChem CID117400756
Molecular FormulaC7H5Cl2FO3S
Molecular Weight259.09 g/mol
Exact Mass257.93
IUPAC Name(3-chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(F)c(O)c(Cl)c1
InChIInChI=1S/C7H5Cl2FO3S/c8-5-1-4(3-14(9,12)13)2-6(10)7(5)11/h1-2,11H,3H2
InChIKeyYNNGSTVXUQIXIG-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 (3-chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride?
The IUPAC name of (3-chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride (CID 117400756) is (3-chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1cc(F)c(O)c(Cl)c1.
What is the InChIKey of (3-chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride?
The InChIKey is YNNGSTVXUQIXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FO3S/c8-5-1-4(3-14(9,12)13)2-6(10)7(5)11/h1-2,11H,3H2.
What are the key properties of (3-chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride?
(3-chloro-5-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 (3-chloro-5-fluoro-4-hydroxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117400756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).