[(E)-5-chloropent-3-enyl]sulfonylbenzene

C11H13ClO2S — CID 101481527

IUPAC[(E)-5-chloropent-3-enyl]sulfonylbenzene
SMILESO=S(=O)(CC/C=C/CCl)c1ccccc1
InChIInChI=1S/C11H13ClO2S/c12-9-5-2-6-10-15(13,14)11-7-3-1-4-8-11/h1-5,7-8H,6,9-10H2/b5-2+
InChIKeyRMJBHXTULKQQOD-GORDUTHDSA-N
MW244.74 g/mol
LogP2.65
Rot. Bonds5

About [(E)-5-chloropent-3-enyl]sulfonylbenzene

[(E)-5-chloropent-3-enyl]sulfonylbenzene (PubChem CID 101481527) has the molecular formula C11H13ClO2S and a molecular weight of 244.74 g/mol. Its IUPAC name is [(E)-5-chloropent-3-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-5-chloropent-3-enyl]sulfonylbenzene
PubChem CID101481527
Molecular FormulaC11H13ClO2S
Molecular Weight244.74 g/mol
Exact Mass244.03
IUPAC Name[(E)-5-chloropent-3-enyl]sulfonylbenzene
SMILESO=S(=O)(CC/C=C/CCl)c1ccccc1
InChIInChI=1S/C11H13ClO2S/c12-9-5-2-6-10-15(13,14)11-7-3-1-4-8-11/h1-5,7-8H,6,9-10H2/b5-2+
InChIKeyRMJBHXTULKQQOD-GORDUTHDSA-N
XLogP2.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(benzenesulfonyl)-2-(chloromethyl)pent-2-enoic acid
CID 70189811
5-(benzenesulfonyl)pentanal
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2-(benzenesulfonyl)ethyl-chloromercury
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[(E)-5-chloropent-3-enyl]benzene
CID 101263863
2-(benzenesulfonyl)ethylsulfanylbenzene
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2-(2-methylpropylsulfanyl)ethylsulfonylbenzene
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CID 158169655
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Frequently Asked Questions

What is the IUPAC name of [(E)-5-chloropent-3-enyl]sulfonylbenzene?
The IUPAC name of [(E)-5-chloropent-3-enyl]sulfonylbenzene (CID 101481527) is [(E)-5-chloropent-3-enyl]sulfonylbenzene.
What is the SMILES notation for [(E)-5-chloropent-3-enyl]sulfonylbenzene?
The canonical SMILES for [(E)-5-chloropent-3-enyl]sulfonylbenzene is O=S(=O)(CC/C=C/CCl)c1ccccc1.
What is the InChIKey of [(E)-5-chloropent-3-enyl]sulfonylbenzene?
The InChIKey is RMJBHXTULKQQOD-GORDUTHDSA-N. The full InChI is InChI=1S/C11H13ClO2S/c12-9-5-2-6-10-15(13,14)11-7-3-1-4-8-11/h1-5,7-8H,6,9-10H2/b5-2+.
What are the key properties of [(E)-5-chloropent-3-enyl]sulfonylbenzene?
[(E)-5-chloropent-3-enyl]sulfonylbenzene has a molecular weight of 244.74 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-chloropent-3-enyl]sulfonylbenzene is sourced from PubChem (CID 101481527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).