1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene

C10H10Cl2O2S — CID 12997405

IUPAC1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene
SMILESO=S(=O)(C/C=C/CCl)c1ccc(Cl)cc1
InChIInChI=1S/C10H10Cl2O2S/c11-7-1-2-8-15(13,14)10-5-3-9(12)4-6-10/h1-6H,7-8H2/b2-1+
InChIKeyXVAFGVTYBSNDLV-OWOJBTEDSA-N
MW265.16 g/mol
LogP2.91
Rot. Bonds4

About 1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene

1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene (PubChem CID 12997405) has the molecular formula C10H10Cl2O2S and a molecular weight of 265.16 g/mol. Its IUPAC name is 1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene
PubChem CID12997405
Molecular FormulaC10H10Cl2O2S
Molecular Weight265.16 g/mol
Exact Mass263.98
IUPAC Name1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene
SMILESO=S(=O)(C/C=C/CCl)c1ccc(Cl)cc1
InChIInChI=1S/C10H10Cl2O2S/c11-7-1-2-8-15(13,14)10-5-3-9(12)4-6-10/h1-6H,7-8H2/b2-1+
InChIKeyXVAFGVTYBSNDLV-OWOJBTEDSA-N
XLogP2.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene?
The IUPAC name of 1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene (CID 12997405) is 1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene.
What is the SMILES notation for 1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene?
The canonical SMILES for 1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene is O=S(=O)(C/C=C/CCl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene?
The InChIKey is XVAFGVTYBSNDLV-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H10Cl2O2S/c11-7-1-2-8-15(13,14)10-5-3-9(12)4-6-10/h1-6H,7-8H2/b2-1+.
What are the key properties of 1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene?
1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene has a molecular weight of 265.16 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfonylbenzene is sourced from PubChem (CID 12997405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).