(E)-2-(4-bromophenyl)ethenesulfonyl chloride

C8H6BrClO2S — CID 23084300

IUPAC(E)-2-(4-bromophenyl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C8H6BrClO2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-6H/b6-5+
InChIKeyQAAQAKSRVIIUEV-AATRIKPKSA-N
MW281.56 g/mol
LogP2.99
Rot. Bonds2

About (E)-2-(4-bromophenyl)ethenesulfonyl chloride

(E)-2-(4-bromophenyl)ethenesulfonyl chloride (PubChem CID 23084300) has the molecular formula C8H6BrClO2S and a molecular weight of 281.56 g/mol. Its IUPAC name is (E)-2-(4-bromophenyl)ethenesulfonyl chloride.

Molecular Properties

Compound Name(E)-2-(4-bromophenyl)ethenesulfonyl chloride
PubChem CID23084300
Molecular FormulaC8H6BrClO2S
Molecular Weight281.56 g/mol
Exact Mass279.90
IUPAC Name(E)-2-(4-bromophenyl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C8H6BrClO2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-6H/b6-5+
InChIKeyQAAQAKSRVIIUEV-AATRIKPKSA-N
XLogP2.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.56
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-bromophenyl)ethenesulfonyl chloride?
The IUPAC name of (E)-2-(4-bromophenyl)ethenesulfonyl chloride (CID 23084300) is (E)-2-(4-bromophenyl)ethenesulfonyl chloride.
What is the SMILES notation for (E)-2-(4-bromophenyl)ethenesulfonyl chloride?
The canonical SMILES for (E)-2-(4-bromophenyl)ethenesulfonyl chloride is O=S(=O)(Cl)/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-2-(4-bromophenyl)ethenesulfonyl chloride?
The InChIKey is QAAQAKSRVIIUEV-AATRIKPKSA-N. The full InChI is InChI=1S/C8H6BrClO2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-6H/b6-5+.
What are the key properties of (E)-2-(4-bromophenyl)ethenesulfonyl chloride?
(E)-2-(4-bromophenyl)ethenesulfonyl chloride has a molecular weight of 281.56 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-bromophenyl)ethenesulfonyl chloride is sourced from PubChem (CID 23084300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).