3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan

C13H11ClO3S — CID 85054674

IUPAC3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan
SMILESO=S(=O)(C=Cc1ccoc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClO3S/c14-13-3-1-12(2-4-13)10-18(15,16)8-6-11-5-7-17-9-11/h1-9H,10H2
InChIKeyHBYYRJWTUSPBPA-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.52
Rot. Bonds4

About 3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan

3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan (PubChem CID 85054674) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan.

Molecular Properties

Compound Name3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan
PubChem CID85054674
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan
SMILESO=S(=O)(C=Cc1ccoc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClO3S/c14-13-3-1-12(2-4-13)10-18(15,16)8-6-11-5-7-17-9-11/h1-9H,10H2
InChIKeyHBYYRJWTUSPBPA-UHFFFAOYSA-N
XLogP3.52
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan?
The IUPAC name of 3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan (CID 85054674) is 3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan.
What is the SMILES notation for 3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan?
The canonical SMILES for 3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan is O=S(=O)(C=Cc1ccoc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan?
The InChIKey is HBYYRJWTUSPBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c14-13-3-1-12(2-4-13)10-18(15,16)8-6-11-5-7-17-9-11/h1-9H,10H2.
What are the key properties of 3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan?
3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan has a molecular weight of 282.75 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan is sourced from PubChem (CID 85054674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).