1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene

C16H15FO3S — CID 54452495

IUPAC1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene
SMILESCOc1ccc(CS(=O)(=O)C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO3S/c1-20-16-8-4-14(5-9-16)12-21(18,19)11-10-13-2-6-15(17)7-3-13/h2-11H,12H2,1H3
InChIKeyWVXFQFOSPDKBCO-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.42
Rot. Bonds5

About 1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene

1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene (PubChem CID 54452495) has the molecular formula C16H15FO3S and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene
PubChem CID54452495
Molecular FormulaC16H15FO3S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Name1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene
SMILESCOc1ccc(CS(=O)(=O)C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO3S/c1-20-16-8-4-14(5-9-16)12-21(18,19)11-10-13-2-6-15(17)7-3-13/h2-11H,12H2,1H3
InChIKeyWVXFQFOSPDKBCO-UHFFFAOYSA-N
XLogP3.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene
CID 14087488
1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
CID 10132484
1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
CID 54262996
1-methoxy-4-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylmethyl]-2-nitrobenzene
CID 54578536
3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan
CID 173247017
1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
CID 22136870
1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene
CID 13164860
methyl 4-[(E)-2-[(4-chlorophenyl)methylsulfonyl]ethenyl]benzoate
CID 89368182
5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline
CID 54587451
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene?
The IUPAC name of 1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene (CID 54452495) is 1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene is COc1ccc(CS(=O)(=O)C=Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene?
The InChIKey is WVXFQFOSPDKBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3S/c1-20-16-8-4-14(5-9-16)12-21(18,19)11-10-13-2-6-15(17)7-3-13/h2-11H,12H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene?
1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene has a molecular weight of 306.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene is sourced from PubChem (CID 54452495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).