[(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene

C14H17FO2S — CID 101481699

IUPAC[(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene
SMILESO=S(=O)(/C(F)=C/C1CCCCC1)c1ccccc1
InChIInChI=1S/C14H17FO2S/c15-14(11-12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2/b14-11+
InChIKeyISINUYOMEWVIER-SDNWHVSQSA-N
MW268.35 g/mol
LogP3.85
Rot. Bonds3

About [(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene

[(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene (PubChem CID 101481699) has the molecular formula C14H17FO2S and a molecular weight of 268.35 g/mol. Its IUPAC name is [(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene
PubChem CID101481699
Molecular FormulaC14H17FO2S
Molecular Weight268.35 g/mol
Exact Mass268.09
IUPAC Name[(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene
SMILESO=S(=O)(/C(F)=C/C1CCCCC1)c1ccccc1
InChIInChI=1S/C14H17FO2S/c15-14(11-12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2/b14-11+
InChIKeyISINUYOMEWVIER-SDNWHVSQSA-N
XLogP3.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene 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

Diphenyl sulfone
CID 31386
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
Phenyl trans-Styryl Sulfone
CID 736143
1-Fluoro-4-(phenylsulphonyl)benzene
CID 67556
((3-Phenylpropyl)sulfonyl)benzene
CID 97180
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene
CID 757561
(Cyclohexanesulfonyl)benzene
CID 245250
[(2-Phenylethyl)sulfonyl]benzene
CID 2832910

Frequently Asked Questions

What is the IUPAC name of [(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene?
The IUPAC name of [(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene (CID 101481699) is [(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene.
What is the SMILES notation for [(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene?
The canonical SMILES for [(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene is O=S(=O)(/C(F)=C/C1CCCCC1)c1ccccc1.
What is the InChIKey of [(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene?
The InChIKey is ISINUYOMEWVIER-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H17FO2S/c15-14(11-12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2/b14-11+.
What are the key properties of [(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene?
[(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene has a molecular weight of 268.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene is sourced from PubChem (CID 101481699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).