1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene

C13H18O2S — CID 23466878

IUPAC1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene
SMILESC=CS(=O)(=O)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C13H18O2S/c1-5-13(3,4)11-7-9-12(10-8-11)16(14,15)6-2/h6-10H,2,5H2,1,3-4H3
InChIKeyBPMSZAUXYCBYFU-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.29
Rot. Bonds4

About 1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene

1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene (PubChem CID 23466878) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene
PubChem CID23466878
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene
SMILESC=CS(=O)(=O)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C13H18O2S/c1-5-13(3,4)11-7-9-12(10-8-11)16(14,15)6-2/h6-10H,2,5H2,1,3-4H3
InChIKeyBPMSZAUXYCBYFU-UHFFFAOYSA-N
XLogP3.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene (CID 23466878) is 1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene is C=CS(=O)(=O)c1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene?
The InChIKey is BPMSZAUXYCBYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-5-13(3,4)11-7-9-12(10-8-11)16(14,15)6-2/h6-10H,2,5H2,1,3-4H3.
What are the key properties of 1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene?
1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene has a molecular weight of 238.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 23466878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).