1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene

C15H11Cl2FOS — CID 68560223

IUPAC1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene
SMILESO=S(/C=C/c1ccc(F)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FOS/c16-14-6-3-12(9-15(14)17)10-20(19)8-7-11-1-4-13(18)5-2-11/h1-9H,10H2/b8-7+
InChIKeyVWOQTBSHQNJFPR-BQYQJAHWSA-N
MW329.22 g/mol
LogP5.05
Rot. Bonds4

About 1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene

1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene (PubChem CID 68560223) has the molecular formula C15H11Cl2FOS and a molecular weight of 329.22 g/mol. Its IUPAC name is 1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene
PubChem CID68560223
Molecular FormulaC15H11Cl2FOS
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene
SMILESO=S(/C=C/c1ccc(F)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FOS/c16-14-6-3-12(9-15(14)17)10-20(19)8-7-11-1-4-13(18)5-2-11/h1-9H,10H2/b8-7+
InChIKeyVWOQTBSHQNJFPR-BQYQJAHWSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.22
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene?
The IUPAC name of 1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene (CID 68560223) is 1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene is O=S(/C=C/c1ccc(F)cc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene?
The InChIKey is VWOQTBSHQNJFPR-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H11Cl2FOS/c16-14-6-3-12(9-15(14)17)10-20(19)8-7-11-1-4-13(18)5-2-11/h1-9H,10H2/b8-7+.
What are the key properties of 1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene?
1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene has a molecular weight of 329.22 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene is sourced from PubChem (CID 68560223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).