4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol

C13H9Cl2FO4S — CID 143476460

IUPAC4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol
SMILESCOc1cc(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1O
InChIInChI=1S/C13H9Cl2FO4S/c1-20-12-6-8(2-3-11(12)17)21(18,19)13-9(14)4-7(16)5-10(13)15/h2-6,17H,1H3
InChIKeyFIUOPUBDXGYGKT-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.68
Rot. Bonds3

About 4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol

4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol (PubChem CID 143476460) has the molecular formula C13H9Cl2FO4S and a molecular weight of 351.18 g/mol. Its IUPAC name is 4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol.

Molecular Properties

Compound Name4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol
PubChem CID143476460
Molecular FormulaC13H9Cl2FO4S
Molecular Weight351.18 g/mol
Exact Mass349.96
IUPAC Name4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol
SMILESCOc1cc(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1O
InChIInChI=1S/C13H9Cl2FO4S/c1-20-12-6-8(2-3-11(12)17)21(18,19)13-9(14)4-7(16)5-10(13)15/h2-6,17H,1H3
InChIKeyFIUOPUBDXGYGKT-UHFFFAOYSA-N
XLogP3.68
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol?
The IUPAC name of 4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol (CID 143476460) is 4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol.
What is the SMILES notation for 4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol?
The canonical SMILES for 4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol is COc1cc(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1O.
What is the InChIKey of 4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol?
The InChIKey is FIUOPUBDXGYGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO4S/c1-20-12-6-8(2-3-11(12)17)21(18,19)13-9(14)4-7(16)5-10(13)15/h2-6,17H,1H3.
What are the key properties of 4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol?
4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol has a molecular weight of 351.18 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol is sourced from PubChem (CID 143476460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).