2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol

C12H6Cl4O4S — CID 1368742

IUPAC2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H6Cl4O4S/c13-5-1-7(15)11(17)9(3-5)21(19,20)10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
InChIKeyUOGGDVSNMLEDIZ-UHFFFAOYSA-N
MW388.06 g/mol
LogP4.54
Rot. Bonds2

About 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol

2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol (PubChem CID 1368742) has the molecular formula C12H6Cl4O4S and a molecular weight of 388.06 g/mol. Its IUPAC name is 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol
PubChem CID1368742
Molecular FormulaC12H6Cl4O4S
Molecular Weight388.06 g/mol
Exact Mass385.87
IUPAC Name2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H6Cl4O4S/c13-5-1-7(15)11(17)9(3-5)21(19,20)10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
InChIKeyUOGGDVSNMLEDIZ-UHFFFAOYSA-N
XLogP4.54
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol?
The IUPAC name of 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol (CID 1368742) is 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol.
What is the SMILES notation for 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol?
The canonical SMILES for 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol is O=S(=O)(c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol?
The InChIKey is UOGGDVSNMLEDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4O4S/c13-5-1-7(15)11(17)9(3-5)21(19,20)10-4-6(14)2-8(16)12(10)18/h1-4,17-18H.
What are the key properties of 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol?
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol has a molecular weight of 388.06 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol is sourced from PubChem (CID 1368742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).