1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene

C14H11BrO2S — CID 5369347

IUPAC1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene
SMILESO=S(=O)(/C=C/c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrO2S/c15-13-6-8-14(9-7-13)18(16,17)11-10-12-4-2-1-3-5-12/h1-11H/b11-10+
InChIKeyOQZPIIREIILYLV-ZHACJKMWSA-N
MW323.21 g/mol
LogP3.89
Rot. Bonds3

About 1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene

1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene (PubChem CID 5369347) has the molecular formula C14H11BrO2S and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene
PubChem CID5369347
Molecular FormulaC14H11BrO2S
Molecular Weight323.21 g/mol
Exact Mass321.97
IUPAC Name1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene
SMILESO=S(=O)(/C=C/c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrO2S/c15-13-6-8-14(9-7-13)18(16,17)11-10-12-4-2-1-3-5-12/h1-11H/b11-10+
InChIKeyOQZPIIREIILYLV-ZHACJKMWSA-N
XLogP3.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene?
The IUPAC name of 1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene (CID 5369347) is 1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene.
What is the SMILES notation for 1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene?
The canonical SMILES for 1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene is O=S(=O)(/C=C/c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene?
The InChIKey is OQZPIIREIILYLV-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H11BrO2S/c15-13-6-8-14(9-7-13)18(16,17)11-10-12-4-2-1-3-5-12/h1-11H/b11-10+.
What are the key properties of 1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene?
1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene has a molecular weight of 323.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-2-phenylethenyl]sulfonylbenzene is sourced from PubChem (CID 5369347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).