1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene

C14H11ClOS — CID 819546

IUPAC1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene
SMILESO=S(C=Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H11ClOS/c15-13-8-6-12(7-9-13)10-11-17(16)14-4-2-1-3-5-14/h1-11H
InChIKeyKREJVRMBUAZAHP-UHFFFAOYSA-N
MW262.76 g/mol
LogP4.12
Rot. Bonds3

About 1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene

1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene (PubChem CID 819546) has the molecular formula C14H11ClOS and a molecular weight of 262.76 g/mol. Its IUPAC name is 1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene
PubChem CID819546
Molecular FormulaC14H11ClOS
Molecular Weight262.76 g/mol
Exact Mass262.02
IUPAC Name1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene
SMILESO=S(C=Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H11ClOS/c15-13-8-6-12(7-9-13)10-11-17(16)14-4-2-1-3-5-14/h1-11H
InChIKeyKREJVRMBUAZAHP-UHFFFAOYSA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene?
The IUPAC name of 1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene (CID 819546) is 1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene.
What is the SMILES notation for 1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene?
The canonical SMILES for 1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene is O=S(C=Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene?
The InChIKey is KREJVRMBUAZAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClOS/c15-13-8-6-12(7-9-13)10-11-17(16)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene?
1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene has a molecular weight of 262.76 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene is sourced from PubChem (CID 819546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).