2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene

C18H16Cl2O2S — CID 10292387

IUPAC2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3Cl)CCC2)cc1
InChIInChI=1S/C18H16Cl2O2S/c1-23(21,22)14-8-5-12(6-9-14)15-3-2-4-16(15)17-10-7-13(19)11-18(17)20/h5-11H,2-4H2,1H3
InChIKeyKSFMAASFLCWROX-UHFFFAOYSA-N
MW367.30 g/mol
LogP5.49
Rot. Bonds3

About 2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene

2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene (PubChem CID 10292387) has the molecular formula C18H16Cl2O2S and a molecular weight of 367.30 g/mol. Its IUPAC name is 2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
PubChem CID10292387
Molecular FormulaC18H16Cl2O2S
Molecular Weight367.30 g/mol
Exact Mass366.02
IUPAC Name2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3Cl)CCC2)cc1
InChIInChI=1S/C18H16Cl2O2S/c1-23(21,22)14-8-5-12(6-9-14)15-3-2-4-16(15)17-10-7-13(19)11-18(17)20/h5-11H,2-4H2,1H3
InChIKeyKSFMAASFLCWROX-UHFFFAOYSA-N
XLogP5.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.30
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
The IUPAC name of 2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene (CID 10292387) is 2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
The canonical SMILES for 2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene is CS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3Cl)CCC2)cc1.
What is the InChIKey of 2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
The InChIKey is KSFMAASFLCWROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2O2S/c1-23(21,22)14-8-5-12(6-9-14)15-3-2-4-16(15)17-10-7-13(19)11-18(17)20/h5-11H,2-4H2,1H3.
What are the key properties of 2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene has a molecular weight of 367.30 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene is sourced from PubChem (CID 10292387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).