2,6-dichloro-4-methylsulfonylphenol

C7H6Cl2O3S — CID 735866

IUPAC2,6-dichloro-4-methylsulfonylphenol
SMILESCS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C7H6Cl2O3S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
InChIKeyCTBGNTCBLZAIRI-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.10
Rot. Bonds1

About 2,6-dichloro-4-methylsulfonylphenol

2,6-dichloro-4-methylsulfonylphenol (PubChem CID 735866) has the molecular formula C7H6Cl2O3S and a molecular weight of 241.09 g/mol. Its IUPAC name is 2,6-dichloro-4-methylsulfonylphenol.

Molecular Properties

Compound Name2,6-dichloro-4-methylsulfonylphenol
PubChem CID735866
Molecular FormulaC7H6Cl2O3S
Molecular Weight241.09 g/mol
Exact Mass239.94
IUPAC Name2,6-dichloro-4-methylsulfonylphenol
SMILESCS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C7H6Cl2O3S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
InChIKeyCTBGNTCBLZAIRI-UHFFFAOYSA-N
XLogP2.10
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methylsulfonylphenol?
The IUPAC name of 2,6-dichloro-4-methylsulfonylphenol (CID 735866) is 2,6-dichloro-4-methylsulfonylphenol.
What is the SMILES notation for 2,6-dichloro-4-methylsulfonylphenol?
The canonical SMILES for 2,6-dichloro-4-methylsulfonylphenol is CS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-methylsulfonylphenol?
The InChIKey is CTBGNTCBLZAIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O3S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3.
What are the key properties of 2,6-dichloro-4-methylsulfonylphenol?
2,6-dichloro-4-methylsulfonylphenol has a molecular weight of 241.09 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methylsulfonylphenol is sourced from PubChem (CID 735866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).