1-bromo-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzene

C14H10BrClO2S — CID 2470219

IUPAC1-bromo-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzene
SMILESO=S(=O)(/C=C/c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10BrClO2S/c15-12-3-1-11(2-4-12)9-10-19(17,18)14-7-5-13(16)6-8-14/h1-10H/b10-9+
InChIKeyHVSMMGMOGXMVNZ-MDZDMXLPSA-N
MW357.66 g/mol
LogP4.55
Rot. Bonds3

About 1-bromo-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzene

1-bromo-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzene (PubChem CID 2470219) has the molecular formula C14H10BrClO2S and a molecular weight of 357.66 g/mol. Its IUPAC name is 1-bromo-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzene
PubChem CID2470219
Molecular FormulaC14H10BrClO2S
Molecular Weight357.66 g/mol
Exact Mass355.93
IUPAC Name1-bromo-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzene
SMILESO=S(=O)(/C=C/c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10BrClO2S/c15-12-3-1-11(2-4-12)9-10-19(17,18)14-7-5-13(16)6-8-14/h1-10H/b10-9+
InChIKeyHVSMMGMOGXMVNZ-MDZDMXLPSA-N
XLogP4.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.66
LogP ≤ 54.55
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-(4-chlorophenyl)sulfonylethenyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzene (CID 2470219) is 1-bromo-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzene is O=S(=O)(/C=C/c1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-bromo-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzene?
The InChIKey is HVSMMGMOGXMVNZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H10BrClO2S/c15-12-3-1-11(2-4-12)9-10-19(17,18)14-7-5-13(16)6-8-14/h1-10H/b10-9+.
What are the key properties of 1-bromo-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzene?
1-bromo-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzene has a molecular weight of 357.66 g/mol, XLogP of 4.55, 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-(4-chlorophenyl)sulfonylethenyl]benzene is sourced from PubChem (CID 2470219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).