1-ethenyl-4-methylsulfonylbenzene

C9H10O2S — CID 23191629

IUPAC1-ethenyl-4-methylsulfonylbenzene
SMILESC=Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C9H10O2S/c1-3-8-4-6-9(7-5-8)12(2,10)11/h3-7H,1H2,2H3
InChIKeyBFMBTATYOXZSJD-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.73
Rot. Bonds2

About 1-ethenyl-4-methylsulfonylbenzene

1-ethenyl-4-methylsulfonylbenzene (PubChem CID 23191629) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-ethenyl-4-methylsulfonylbenzene.

Molecular Properties

Compound Name1-ethenyl-4-methylsulfonylbenzene
PubChem CID23191629
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name1-ethenyl-4-methylsulfonylbenzene
SMILESC=Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C9H10O2S/c1-3-8-4-6-9(7-5-8)12(2,10)11/h3-7H,1H2,2H3
InChIKeyBFMBTATYOXZSJD-UHFFFAOYSA-N
XLogP1.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethenyl-4-methylsulfonylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methylsulfonylbenzene?
The IUPAC name of 1-ethenyl-4-methylsulfonylbenzene (CID 23191629) is 1-ethenyl-4-methylsulfonylbenzene.
What is the SMILES notation for 1-ethenyl-4-methylsulfonylbenzene?
The canonical SMILES for 1-ethenyl-4-methylsulfonylbenzene is C=Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-ethenyl-4-methylsulfonylbenzene?
The InChIKey is BFMBTATYOXZSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-3-8-4-6-9(7-5-8)12(2,10)11/h3-7H,1H2,2H3.
What are the key properties of 1-ethenyl-4-methylsulfonylbenzene?
1-ethenyl-4-methylsulfonylbenzene has a molecular weight of 182.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methylsulfonylbenzene is sourced from PubChem (CID 23191629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).