[(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene

C14H11BrO2S — CID 12543475

IUPAC[(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene
SMILESO=S(=O)(/C=C(/Br)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11BrO2S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-11H/b14-11+
InChIKeyKZEKKKHNXUUYJO-SDNWHVSQSA-N
MW323.21 g/mol
LogP3.85
Rot. Bonds3

About [(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene

[(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene (PubChem CID 12543475) has the molecular formula C14H11BrO2S and a molecular weight of 323.21 g/mol. Its IUPAC name is [(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene
PubChem CID12543475
Molecular FormulaC14H11BrO2S
Molecular Weight323.21 g/mol
Exact Mass321.97
IUPAC Name[(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene
SMILESO=S(=O)(/C=C(/Br)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11BrO2S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-11H/b14-11+
InChIKeyKZEKKKHNXUUYJO-SDNWHVSQSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Dibenzyl sulfone
CID 69282
3-Bromo-1lambda6-benzothiophene-1,1-dione
CID 97582
P-Tolyl vinyl sulfone
CID 79665
Phenyl trans-Styryl Sulfone
CID 736143
Benzyl phenyl sulfoxide
CID 239581
((3-Phenylpropyl)sulfonyl)benzene
CID 97180
Bromomethyl P-tolyl sulfone
CID 232635
1-Methyl-4-[2-(4-methylphenyl)sulfonylethenylsulfonyl]benzene
CID 284471
1-methyl-4-[(E)-2-phenylethenyl]sulfonylbenzene
CID 757561

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene?
The IUPAC name of [(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene (CID 12543475) is [(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene.
What is the SMILES notation for [(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene?
The canonical SMILES for [(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene is O=S(=O)(/C=C(/Br)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene?
The InChIKey is KZEKKKHNXUUYJO-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H11BrO2S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-11H/b14-11+.
What are the key properties of [(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene?
[(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene has a molecular weight of 323.21 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(benzenesulfonyl)-1-bromoethenyl]benzene is sourced from PubChem (CID 12543475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).