1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene

C14H10BrClO2S — CID 134935994

IUPAC1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene
SMILESO=S(=O)(/C=C(/Cl)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H10BrClO2S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-10H/b14-10+
InChIKeyOIZQHAFVYKSYSH-GXDHUFHOSA-N
MW357.66 g/mol
LogP4.46
Rot. Bonds3

About 1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene

1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene (PubChem CID 134935994) has the molecular formula C14H10BrClO2S and a molecular weight of 357.66 g/mol. Its IUPAC name is 1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene.

Molecular Properties

Compound Name1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene
PubChem CID134935994
Molecular FormulaC14H10BrClO2S
Molecular Weight357.66 g/mol
Exact Mass355.93
IUPAC Name1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene
SMILESO=S(=O)(/C=C(/Cl)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H10BrClO2S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-10H/b14-10+
InChIKeyOIZQHAFVYKSYSH-GXDHUFHOSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene?
The IUPAC name of 1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene (CID 134935994) is 1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene.
What is the SMILES notation for 1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene?
The canonical SMILES for 1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene is O=S(=O)(/C=C(/Cl)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene?
The InChIKey is OIZQHAFVYKSYSH-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H10BrClO2S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-10H/b14-10+.
What are the key properties of 1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene?
1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene has a molecular weight of 357.66 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-4-bromobenzene is sourced from PubChem (CID 134935994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).