1-benzylsulfonyl-4-ethenylbenzene

C15H14O2S — CID 23089554

IUPAC1-benzylsulfonyl-4-ethenylbenzene
SMILESC=Cc1ccc(S(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H14O2S/c1-2-13-8-10-15(11-9-13)18(16,17)12-14-6-4-3-5-7-14/h2-11H,1,12H2
InChIKeyDZRIPKXKBGZDSR-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.30
Rot. Bonds4

About 1-benzylsulfonyl-4-ethenylbenzene

1-benzylsulfonyl-4-ethenylbenzene (PubChem CID 23089554) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-ethenylbenzene.

Molecular Properties

Compound Name1-benzylsulfonyl-4-ethenylbenzene
PubChem CID23089554
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name1-benzylsulfonyl-4-ethenylbenzene
SMILESC=Cc1ccc(S(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H14O2S/c1-2-13-8-10-15(11-9-13)18(16,17)12-14-6-4-3-5-7-14/h2-11H,1,12H2
InChIKeyDZRIPKXKBGZDSR-UHFFFAOYSA-N
XLogP3.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(2-phenylethenyl)phenyl]sulfonylmethyl]benzonitrile
CID 175320678
(4-benzylsulfonylphenyl)boronic acid;methane
CID 158684616
1-ethenyl-4-(ethylsulfonylmethyl)benzene
CID 18998004
potassium benzenesulfonyl-(4-ethenylphenyl)sulfonylazanide
CID 101224201
ethenylsulfonylmethyl(113C)cyclohexatriene
CID 67499319
3-[4-(benzenesulfonylmethyl)phenyl]propanal
CID 159741196
1-benzylsulfonyl-4-propoxybenzene
CID 34245036
4-ethenylbenzenesulfonate;tetraphenylphosphanium
CID 87934174
zinc bis(4-ethenylbenzenesulfonate)
CID 22931380
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
sodium;hydride;phenyl 4-ethenylbenzenesulfonate
CID 174943153
1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol
CID 174823491

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-ethenylbenzene?
The IUPAC name of 1-benzylsulfonyl-4-ethenylbenzene (CID 23089554) is 1-benzylsulfonyl-4-ethenylbenzene.
What is the SMILES notation for 1-benzylsulfonyl-4-ethenylbenzene?
The canonical SMILES for 1-benzylsulfonyl-4-ethenylbenzene is C=Cc1ccc(S(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of 1-benzylsulfonyl-4-ethenylbenzene?
The InChIKey is DZRIPKXKBGZDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-2-13-8-10-15(11-9-13)18(16,17)12-14-6-4-3-5-7-14/h2-11H,1,12H2.
What are the key properties of 1-benzylsulfonyl-4-ethenylbenzene?
1-benzylsulfonyl-4-ethenylbenzene has a molecular weight of 258.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-ethenylbenzene is sourced from PubChem (CID 23089554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).