1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene

C14H11FO2S — CID 5382417

IUPAC1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene
SMILESO=S(=O)(/C=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H11FO2S/c15-13-6-8-14(9-7-13)18(16,17)11-10-12-4-2-1-3-5-12/h1-11H/b11-10+
InChIKeyCTOFVADTPVXQBQ-ZHACJKMWSA-N
MW262.31 g/mol
LogP3.27
Rot. Bonds3

About 1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene

1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene (PubChem CID 5382417) has the molecular formula C14H11FO2S and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene
PubChem CID5382417
Molecular FormulaC14H11FO2S
Molecular Weight262.31 g/mol
Exact Mass262.05
IUPAC Name1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene
SMILESO=S(=O)(/C=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H11FO2S/c15-13-6-8-14(9-7-13)18(16,17)11-10-12-4-2-1-3-5-12/h1-11H/b11-10+
InChIKeyCTOFVADTPVXQBQ-ZHACJKMWSA-N
XLogP3.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl sulfoxide
CID 12116
SC-57666
CID 443373
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Benzothiophene 1,1-dioxide
CID 69997
alpha-(Methylsulphonyl)toluene
CID 76562
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
Dibenzyl sulfone
CID 69282
S-Benzyl 4-methylbenzenesulfonothioate
CID 276623
Sulfone, allyl p-tolyl
CID 96276

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene?
The IUPAC name of 1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene (CID 5382417) is 1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene.
What is the SMILES notation for 1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene?
The canonical SMILES for 1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene is O=S(=O)(/C=C/c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene?
The InChIKey is CTOFVADTPVXQBQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H11FO2S/c15-13-6-8-14(9-7-13)18(16,17)11-10-12-4-2-1-3-5-12/h1-11H/b11-10+.
What are the key properties of 1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene?
1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene has a molecular weight of 262.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-2-phenylethenyl]sulfonylbenzene is sourced from PubChem (CID 5382417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).