[(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene

C16H15FO2S — CID 23237156

IUPAC[(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene
SMILESO=S(=O)(/C(F)=C\CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15FO2S/c17-16(13-7-10-14-8-3-1-4-9-14)20(18,19)15-11-5-2-6-12-15/h1-6,8-9,11-13H,7,10H2/b16-13-
InChIKeyCRHKCAGKLCKJEN-SSZFMOIBSA-N
MW290.36 g/mol
LogP3.90
Rot. Bonds5

About [(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene

[(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene (PubChem CID 23237156) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is [(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene.

Molecular Properties

Compound Name[(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene
PubChem CID23237156
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name[(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene
SMILESO=S(=O)(/C(F)=C\CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15FO2S/c17-16(13-7-10-14-8-3-1-4-9-14)20(18,19)15-11-5-2-6-12-15/h1-6,8-9,11-13H,7,10H2/b16-13-
InChIKeyCRHKCAGKLCKJEN-SSZFMOIBSA-N
XLogP3.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
Dibenzothiophene sulfone
CID 13908
Dibenzyl sulfone
CID 69282
(1,1'-Biphenyl)-4-sulphonyl chloride
CID 74192
P-Tolyl vinyl sulfone
CID 79665
Phenyl trans-Styryl Sulfone
CID 736143
p-Tolyl methyl sulfone
CID 18521
1-Fluoro-4-(phenylsulphonyl)benzene
CID 67556

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene?
The IUPAC name of [(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene (CID 23237156) is [(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene.
What is the SMILES notation for [(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene?
The canonical SMILES for [(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene is O=S(=O)(/C(F)=C\CCc1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene?
The InChIKey is CRHKCAGKLCKJEN-SSZFMOIBSA-N. The full InChI is InChI=1S/C16H15FO2S/c17-16(13-7-10-14-8-3-1-4-9-14)20(18,19)15-11-5-2-6-12-15/h1-6,8-9,11-13H,7,10H2/b16-13-.
What are the key properties of [(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene?
[(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene has a molecular weight of 290.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-(benzenesulfonyl)-4-fluorobut-3-enyl]benzene is sourced from PubChem (CID 23237156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).