1-[(E)-2-(benzenesulfonyl)ethenyl]-4-chlorobenzene

C14H11ClO2S — CID 5382419

IUPAC1-[(E)-2-(benzenesulfonyl)ethenyl]-4-chlorobenzene
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H11ClO2S/c15-13-8-6-12(7-9-13)10-11-18(16,17)14-4-2-1-3-5-14/h1-11H/b11-10+
InChIKeyFXYBLJJXHQXMTH-ZHACJKMWSA-N
MW278.76 g/mol
LogP3.78
Rot. Bonds3

About 1-[(E)-2-(benzenesulfonyl)ethenyl]-4-chlorobenzene

1-[(E)-2-(benzenesulfonyl)ethenyl]-4-chlorobenzene (PubChem CID 5382419) has the molecular formula C14H11ClO2S and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-[(E)-2-(benzenesulfonyl)ethenyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(E)-2-(benzenesulfonyl)ethenyl]-4-chlorobenzene
PubChem CID5382419
Molecular FormulaC14H11ClO2S
Molecular Weight278.76 g/mol
Exact Mass278.02
IUPAC Name1-[(E)-2-(benzenesulfonyl)ethenyl]-4-chlorobenzene
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H11ClO2S/c15-13-8-6-12(7-9-13)10-11-18(16,17)14-4-2-1-3-5-14/h1-11H/b11-10+
InChIKeyFXYBLJJXHQXMTH-ZHACJKMWSA-N
XLogP3.78
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 ≤ 53.78
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)ethenyl]-4-chlorobenzene?
The IUPAC name of 1-[(E)-2-(benzenesulfonyl)ethenyl]-4-chlorobenzene (CID 5382419) is 1-[(E)-2-(benzenesulfonyl)ethenyl]-4-chlorobenzene.
What is the SMILES notation for 1-[(E)-2-(benzenesulfonyl)ethenyl]-4-chlorobenzene?
The canonical SMILES for 1-[(E)-2-(benzenesulfonyl)ethenyl]-4-chlorobenzene is O=S(=O)(/C=C/c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-[(E)-2-(benzenesulfonyl)ethenyl]-4-chlorobenzene?
The InChIKey is FXYBLJJXHQXMTH-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H11ClO2S/c15-13-8-6-12(7-9-13)10-11-18(16,17)14-4-2-1-3-5-14/h1-11H/b11-10+.
What are the key properties of 1-[(E)-2-(benzenesulfonyl)ethenyl]-4-chlorobenzene?
1-[(E)-2-(benzenesulfonyl)ethenyl]-4-chlorobenzene has a molecular weight of 278.76 g/mol, XLogP of 3.78, 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)ethenyl]-4-chlorobenzene is sourced from PubChem (CID 5382419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).