1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene

C17H12F4O4S2 — CID 73043521

IUPAC1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene
SMILESO=S(=O)(C=Cc1ccc(F)cc1F)CS(=O)(=O)C=Cc1ccc(F)cc1F
InChIInChI=1S/C17H12F4O4S2/c18-14-3-1-12(16(20)9-14)5-7-26(22,23)11-27(24,25)8-6-13-2-4-15(19)10-17(13)21/h1-10H,11H2
InChIKeyIEZUCHJTZSTUMH-UHFFFAOYSA-N
MW420.41 g/mol
LogP3.67
Rot. Bonds6

About 1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene

1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene (PubChem CID 73043521) has the molecular formula C17H12F4O4S2 and a molecular weight of 420.41 g/mol. Its IUPAC name is 1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene
PubChem CID73043521
Molecular FormulaC17H12F4O4S2
Molecular Weight420.41 g/mol
Exact Mass420.01
IUPAC Name1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene
SMILESO=S(=O)(C=Cc1ccc(F)cc1F)CS(=O)(=O)C=Cc1ccc(F)cc1F
InChIInChI=1S/C17H12F4O4S2/c18-14-3-1-12(16(20)9-14)5-7-26(22,23)11-27(24,25)8-6-13-2-4-15(19)10-17(13)21/h1-10H,11H2
InChIKeyIEZUCHJTZSTUMH-UHFFFAOYSA-N
XLogP3.67
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene?
The IUPAC name of 1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene (CID 73043521) is 1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene is O=S(=O)(C=Cc1ccc(F)cc1F)CS(=O)(=O)C=Cc1ccc(F)cc1F.
What is the InChIKey of 1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene?
The InChIKey is IEZUCHJTZSTUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4O4S2/c18-14-3-1-12(16(20)9-14)5-7-26(22,23)11-27(24,25)8-6-13-2-4-15(19)10-17(13)21/h1-10H,11H2.
What are the key properties of 1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene?
1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene has a molecular weight of 420.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene is sourced from PubChem (CID 73043521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).