1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene

C14H11FO2S — CID 78131907

IUPAC1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
SMILESO=S(=O)(C=Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H11FO2S/c15-13-8-6-12(7-9-13)10-11-18(16,17)14-4-2-1-3-5-14/h1-11H
InChIKeyBRDLWFAAZAMHPD-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.27
Rot. Bonds3

About 1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene

1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene (PubChem CID 78131907) has the molecular formula C14H11FO2S and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
PubChem CID78131907
Molecular FormulaC14H11FO2S
Molecular Weight262.31 g/mol
Exact Mass262.05
IUPAC Name1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
SMILESO=S(=O)(C=Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H11FO2S/c15-13-8-6-12(7-9-13)10-11-18(16,17)14-4-2-1-3-5-14/h1-11H
InChIKeyBRDLWFAAZAMHPD-UHFFFAOYSA-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

1-[(Z)-2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
CID 71609102
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide
CID 132820884
1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
CID 9036054
[(E)-2-[(E)-2-(benzenesulfonyl)ethenyl]sulfonylethenyl]benzene
CID 15531132
phenyl (E)-2-(4-fluorophenyl)ethenesulfonate
CID 87461521
2-(4-fluorophenyl)-N-phenylethenesulfonamide
CID 66810640
[4-[(E)-2-(benzenesulfonyl)ethenyl]phenyl] acetate
CID 101207507
(E)-2-(4-fluorophenyl)ethenesulfonamide
CID 22750880
1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene
CID 175536541
4-(2-phenylethenylsulfonyl)benzonitrile
CID 70224681
3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine
CID 11817425

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene?
The IUPAC name of 1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene (CID 78131907) is 1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene is O=S(=O)(C=Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene?
The InChIKey is BRDLWFAAZAMHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2S/c15-13-8-6-12(7-9-13)10-11-18(16,17)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene?
1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene 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-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene is sourced from PubChem (CID 78131907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).