4-chloro-2-(4-hydroxyphenyl)sulfonylphenol

C12H9ClO4S — CID 44564473

IUPAC4-chloro-2-(4-hydroxyphenyl)sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C12H9ClO4S/c13-8-1-6-11(15)12(7-8)18(16,17)10-4-2-9(14)3-5-10/h1-7,14-15H
InChIKeyGKZDBGDFODLGSJ-UHFFFAOYSA-N
MW284.72 g/mol
LogP2.58
Rot. Bonds2

About 4-chloro-2-(4-hydroxyphenyl)sulfonylphenol

4-chloro-2-(4-hydroxyphenyl)sulfonylphenol (PubChem CID 44564473) has the molecular formula C12H9ClO4S and a molecular weight of 284.72 g/mol. Its IUPAC name is 4-chloro-2-(4-hydroxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name4-chloro-2-(4-hydroxyphenyl)sulfonylphenol
PubChem CID44564473
Molecular FormulaC12H9ClO4S
Molecular Weight284.72 g/mol
Exact Mass283.99
IUPAC Name4-chloro-2-(4-hydroxyphenyl)sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C12H9ClO4S/c13-8-1-6-11(15)12(7-8)18(16,17)10-4-2-9(14)3-5-10/h1-7,14-15H
InChIKeyGKZDBGDFODLGSJ-UHFFFAOYSA-N
XLogP2.58
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-hydroxyphenyl)sulfonylphenol?
The IUPAC name of 4-chloro-2-(4-hydroxyphenyl)sulfonylphenol (CID 44564473) is 4-chloro-2-(4-hydroxyphenyl)sulfonylphenol.
What is the SMILES notation for 4-chloro-2-(4-hydroxyphenyl)sulfonylphenol?
The canonical SMILES for 4-chloro-2-(4-hydroxyphenyl)sulfonylphenol is O=S(=O)(c1ccc(O)cc1)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-(4-hydroxyphenyl)sulfonylphenol?
The InChIKey is GKZDBGDFODLGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO4S/c13-8-1-6-11(15)12(7-8)18(16,17)10-4-2-9(14)3-5-10/h1-7,14-15H.
What are the key properties of 4-chloro-2-(4-hydroxyphenyl)sulfonylphenol?
4-chloro-2-(4-hydroxyphenyl)sulfonylphenol has a molecular weight of 284.72 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-hydroxyphenyl)sulfonylphenol is sourced from PubChem (CID 44564473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).