2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol

C16H14F2O5S — CID 170921074

IUPAC2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol
SMILESCOc1ccc(C(O)=CS(=O)(=O)c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C16H14F2O5S/c1-22-14-5-3-10(7-15(14)23-2)13(19)9-24(20,21)16-6-4-11(17)8-12(16)18/h3-9,19H,1-2H3
InChIKeyZFMRYLSTTMAVRI-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.31
Rot. Bonds5

About 2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol

2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol (PubChem CID 170921074) has the molecular formula C16H14F2O5S and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol
PubChem CID170921074
Molecular FormulaC16H14F2O5S
Molecular Weight356.35 g/mol
Exact Mass356.05
IUPAC Name2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol
SMILESCOc1ccc(C(O)=CS(=O)(=O)c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C16H14F2O5S/c1-22-14-5-3-10(7-15(14)23-2)13(19)9-24(20,21)16-6-4-11(17)8-12(16)18/h3-9,19H,1-2H3
InChIKeyZFMRYLSTTMAVRI-UHFFFAOYSA-N
XLogP3.31
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol?
The IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol (CID 170921074) is 2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol is COc1ccc(C(O)=CS(=O)(=O)c2ccc(F)cc2F)cc1OC.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol?
The InChIKey is ZFMRYLSTTMAVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O5S/c1-22-14-5-3-10(7-15(14)23-2)13(19)9-24(20,21)16-6-4-11(17)8-12(16)18/h3-9,19H,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol?
2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol has a molecular weight of 356.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfonyl-1-(3,4-dimethoxyphenyl)ethenol is sourced from PubChem (CID 170921074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).