[1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene

C20H20O4S2 — CID 14202339

IUPAC[1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene
SMILESC=CC1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)CC1=C
InChIInChI=1S/C20H20O4S2/c1-3-17-15-20(14-16(17)2,25(21,22)18-10-6-4-7-11-18)26(23,24)19-12-8-5-9-13-19/h3-13,17H,1-2,14-15H2
InChIKeyCKQYIFSCGDHDGA-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.78
Rot. Bonds5

About [1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene

[1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene (PubChem CID 14202339) has the molecular formula C20H20O4S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene
PubChem CID14202339
Molecular FormulaC20H20O4S2
Molecular Weight388.51 g/mol
Exact Mass388.08
IUPAC Name[1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene
SMILESC=CC1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)CC1=C
InChIInChI=1S/C20H20O4S2/c1-3-17-15-20(14-16(17)2,25(21,22)18-10-6-4-7-11-18)26(23,24)19-12-8-5-9-13-19/h3-13,17H,1-2,14-15H2
InChIKeyCKQYIFSCGDHDGA-UHFFFAOYSA-N
XLogP3.78
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.78
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 [1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene?
The IUPAC name of [1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene (CID 14202339) is [1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene.
What is the SMILES notation for [1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene?
The canonical SMILES for [1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene is C=CC1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)CC1=C.
What is the InChIKey of [1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene?
The InChIKey is CKQYIFSCGDHDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4S2/c1-3-17-15-20(14-16(17)2,25(21,22)18-10-6-4-7-11-18)26(23,24)19-12-8-5-9-13-19/h3-13,17H,1-2,14-15H2.
What are the key properties of [1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene?
[1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene has a molecular weight of 388.51 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene is sourced from PubChem (CID 14202339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).