[(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene

C17H18O4S2 — CID 5467261

IUPAC[(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene
SMILESC/C=C/CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18O4S2/c1-2-3-14-17(22(18,19)15-10-6-4-7-11-15)23(20,21)16-12-8-5-9-13-16/h2-13,17H,14H2,1H3/b3-2+
InChIKeyQBALMNLFHSAOQA-NSCUHMNNSA-N
MW350.46 g/mol
LogP3.23
Rot. Bonds6

About [(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene

[(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene (PubChem CID 5467261) has the molecular formula C17H18O4S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene
PubChem CID5467261
Molecular FormulaC17H18O4S2
Molecular Weight350.46 g/mol
Exact Mass350.06
IUPAC Name[(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene
SMILESC/C=C/CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18O4S2/c1-2-3-14-17(22(18,19)15-10-6-4-7-11-15)23(20,21)16-12-8-5-9-13-16/h2-13,17H,14H2,1H3/b3-2+
InChIKeyQBALMNLFHSAOQA-NSCUHMNNSA-N
XLogP3.23
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene?
The IUPAC name of [(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene (CID 5467261) is [(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene.
What is the SMILES notation for [(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene?
The canonical SMILES for [(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene is C/C=C/CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene?
The InChIKey is QBALMNLFHSAOQA-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H18O4S2/c1-2-3-14-17(22(18,19)15-10-6-4-7-11-15)23(20,21)16-12-8-5-9-13-16/h2-13,17H,14H2,1H3/b3-2+.
What are the key properties of [(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene?
[(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene has a molecular weight of 350.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene is sourced from PubChem (CID 5467261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).