2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide

C16H11F4NO2S2 — CID 66992508

IUPAC2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide
SMILESO=S(C=Cc1ccc(F)cc1F)NS(=O)C=Cc1ccc(F)cc1F
InChIInChI=1S/C16H11F4NO2S2/c17-13-3-1-11(15(19)9-13)5-7-24(22)21-25(23)8-6-12-2-4-14(18)10-16(12)20/h1-10,21H
InChIKeySHZOQSDSPABILH-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.80
Rot. Bonds6

About 2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide

2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide (PubChem CID 66992508) has the molecular formula C16H11F4NO2S2 and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide
PubChem CID66992508
Molecular FormulaC16H11F4NO2S2
Molecular Weight389.40 g/mol
Exact Mass389.02
IUPAC Name2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide
SMILESO=S(C=Cc1ccc(F)cc1F)NS(=O)C=Cc1ccc(F)cc1F
InChIInChI=1S/C16H11F4NO2S2/c17-13-3-1-11(15(19)9-13)5-7-24(22)21-25(23)8-6-12-2-4-14(18)10-16(12)20/h1-10,21H
InChIKeySHZOQSDSPABILH-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-1-(2-methylsulfinylethenyl)benzene
CID 67288123
3-(2,4-difluorophenyl)prop-2-enal
CID 2763109
1-[(E)-2-bromoethenyl]-2,4-difluorobenzene
CID 165468200
1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one
CID 68697765
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene
CID 178070842
2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene
CID 87339541
1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene
CID 73043521
(E)-4-(2,4-difluorophenyl)but-3-ene-1-sulfonyl chloride
CID 82487105
(E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine
CID 54775722
(2E,4E)-5-(2,4-difluorophenyl)penta-2,4-dienoic acid
CID 116865813
methyl (E)-4-(2,4-difluorophenyl)but-3-enoate
CID 165430996

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide (CID 66992508) is 2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide is O=S(C=Cc1ccc(F)cc1F)NS(=O)C=Cc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide?
The InChIKey is SHZOQSDSPABILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4NO2S2/c17-13-3-1-11(15(19)9-13)5-7-24(22)21-25(23)8-6-12-2-4-14(18)10-16(12)20/h1-10,21H.
What are the key properties of 2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide?
2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide has a molecular weight of 389.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide is sourced from PubChem (CID 66992508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).