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

C14H11ClO2S — CID 10084982

IUPAC[(E)-2-(benzenesulfonyl)-1-chloroethenyl]benzene
SMILESO=S(=O)(/C=C(/Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11ClO2S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-11H/b14-11+
InChIKeyWDZZZMMGCIZMGM-SDNWHVSQSA-N
MW278.76 g/mol
LogP3.70
Rot. Bonds3

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

[(E)-2-(benzenesulfonyl)-1-chloroethenyl]benzene (PubChem CID 10084982) has the molecular formula C14H11ClO2S and a molecular weight of 278.76 g/mol. Its IUPAC name is [(E)-2-(benzenesulfonyl)-1-chloroethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-(benzenesulfonyl)-1-chloroethenyl]benzene
PubChem CID10084982
Molecular FormulaC14H11ClO2S
Molecular Weight278.76 g/mol
Exact Mass278.02
IUPAC Name[(E)-2-(benzenesulfonyl)-1-chloroethenyl]benzene
SMILESO=S(=O)(/C=C(/Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11ClO2S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-11H/b14-11+
InChIKeyWDZZZMMGCIZMGM-SDNWHVSQSA-N
XLogP3.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(benzenesulfonyl)-1-chloroethenyl]benzene?
The IUPAC name of [(E)-2-(benzenesulfonyl)-1-chloroethenyl]benzene (CID 10084982) is [(E)-2-(benzenesulfonyl)-1-chloroethenyl]benzene.
What is the SMILES notation for [(E)-2-(benzenesulfonyl)-1-chloroethenyl]benzene?
The canonical SMILES for [(E)-2-(benzenesulfonyl)-1-chloroethenyl]benzene is O=S(=O)(/C=C(/Cl)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-(benzenesulfonyl)-1-chloroethenyl]benzene?
The InChIKey is WDZZZMMGCIZMGM-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H11ClO2S/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-chloroethenyl]benzene?
[(E)-2-(benzenesulfonyl)-1-chloroethenyl]benzene has a molecular weight of 278.76 g/mol, XLogP of 3.70, 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-chloroethenyl]benzene is sourced from PubChem (CID 10084982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).