1-bromo-3-ethenylsulfonylbenzene

C8H7BrO2S — CID 855002

IUPAC1-bromo-3-ethenylsulfonylbenzene
SMILESC=CS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C8H7BrO2S/c1-2-12(10,11)8-5-3-4-7(9)6-8/h2-6H,1H2
InChIKeyOLIANFUVVGMTDW-UHFFFAOYSA-N
MW247.11 g/mol
LogP2.37
Rot. Bonds2

About 1-bromo-3-ethenylsulfonylbenzene

1-bromo-3-ethenylsulfonylbenzene (PubChem CID 855002) has the molecular formula C8H7BrO2S and a molecular weight of 247.11 g/mol. Its IUPAC name is 1-bromo-3-ethenylsulfonylbenzene.

Molecular Properties

Compound Name1-bromo-3-ethenylsulfonylbenzene
PubChem CID855002
Molecular FormulaC8H7BrO2S
Molecular Weight247.11 g/mol
Exact Mass245.94
IUPAC Name1-bromo-3-ethenylsulfonylbenzene
SMILESC=CS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C8H7BrO2S/c1-2-12(10,11)8-5-3-4-7(9)6-8/h2-6H,1H2
InChIKeyOLIANFUVVGMTDW-UHFFFAOYSA-N
XLogP2.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-ethenylsulfonylbenzene?
The IUPAC name of 1-bromo-3-ethenylsulfonylbenzene (CID 855002) is 1-bromo-3-ethenylsulfonylbenzene.
What is the SMILES notation for 1-bromo-3-ethenylsulfonylbenzene?
The canonical SMILES for 1-bromo-3-ethenylsulfonylbenzene is C=CS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-ethenylsulfonylbenzene?
The InChIKey is OLIANFUVVGMTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2S/c1-2-12(10,11)8-5-3-4-7(9)6-8/h2-6H,1H2.
What are the key properties of 1-bromo-3-ethenylsulfonylbenzene?
1-bromo-3-ethenylsulfonylbenzene has a molecular weight of 247.11 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-ethenylsulfonylbenzene is sourced from PubChem (CID 855002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).