1-(4-bromophenyl)ethenesulfonyl chloride

C8H6BrClO2S — CID 22727314

IUPAC1-(4-bromophenyl)ethenesulfonyl chloride
SMILESC=C(c1ccc(Br)cc1)S(=O)(=O)Cl
InChIInChI=1S/C8H6BrClO2S/c1-6(13(10,11)12)7-2-4-8(9)5-3-7/h2-5H,1H2
InChIKeyLXWATQGOXPDSNQ-UHFFFAOYSA-N
MW281.56 g/mol
LogP2.99
Rot. Bonds2

About 1-(4-bromophenyl)ethenesulfonyl chloride

1-(4-bromophenyl)ethenesulfonyl chloride (PubChem CID 22727314) has the molecular formula C8H6BrClO2S and a molecular weight of 281.56 g/mol. Its IUPAC name is 1-(4-bromophenyl)ethenesulfonyl chloride.

Molecular Properties

Compound Name1-(4-bromophenyl)ethenesulfonyl chloride
PubChem CID22727314
Molecular FormulaC8H6BrClO2S
Molecular Weight281.56 g/mol
Exact Mass279.90
IUPAC Name1-(4-bromophenyl)ethenesulfonyl chloride
SMILESC=C(c1ccc(Br)cc1)S(=O)(=O)Cl
InChIInChI=1S/C8H6BrClO2S/c1-6(13(10,11)12)7-2-4-8(9)5-3-7/h2-5H,1H2
InChIKeyLXWATQGOXPDSNQ-UHFFFAOYSA-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 1-(4-bromophenyl)ethenesulfonyl chloride?
The IUPAC name of 1-(4-bromophenyl)ethenesulfonyl chloride (CID 22727314) is 1-(4-bromophenyl)ethenesulfonyl chloride.
What is the SMILES notation for 1-(4-bromophenyl)ethenesulfonyl chloride?
The canonical SMILES for 1-(4-bromophenyl)ethenesulfonyl chloride is C=C(c1ccc(Br)cc1)S(=O)(=O)Cl.
What is the InChIKey of 1-(4-bromophenyl)ethenesulfonyl chloride?
The InChIKey is LXWATQGOXPDSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO2S/c1-6(13(10,11)12)7-2-4-8(9)5-3-7/h2-5H,1H2.
What are the key properties of 1-(4-bromophenyl)ethenesulfonyl chloride?
1-(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 1-(4-bromophenyl)ethenesulfonyl chloride is sourced from PubChem (CID 22727314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).