[(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene

C22H24O4S2 — CID 135007499

IUPAC[(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene
SMILESC=C[C@H]1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C[C@H]1C(=C)C
InChIInChI=1S/C22H24O4S2/c1-4-18-15-22(16-21(18)17(2)3,27(23,24)19-11-7-5-8-12-19)28(25,26)20-13-9-6-10-14-20/h4-14,18,21H,1-2,15-16H2,3H3/t18-,21-/m0/s1
InChIKeyAIIOMCKMNMTOPW-RXVVDRJESA-N
MW416.56 g/mol
LogP4.42
Rot. Bonds6

About [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene

[(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene (PubChem CID 135007499) has the molecular formula C22H24O4S2 and a molecular weight of 416.56 g/mol. Its IUPAC name is [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene.

Molecular Properties

Compound Name[(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene
PubChem CID135007499
Molecular FormulaC22H24O4S2
Molecular Weight416.56 g/mol
Exact Mass416.11
IUPAC Name[(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene
SMILESC=C[C@H]1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C[C@H]1C(=C)C
InChIInChI=1S/C22H24O4S2/c1-4-18-15-22(16-21(18)17(2)3,27(23,24)19-11-7-5-8-12-19)28(25,26)20-13-9-6-10-14-20/h4-14,18,21H,1-2,15-16H2,3H3/t18-,21-/m0/s1
InChIKeyAIIOMCKMNMTOPW-RXVVDRJESA-N
XLogP4.42
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ditosylmethane
CID 275690
1,1'-(1,1-Cyclopentanediyldisulfonyl)bis(4-methylbenzene)
CID 1380164
Benzene, 1,1'-[cyclopentylidenebis(sulfonyl)]bis-
CID 1380165
(4-Methylphenyl){3-[(4-methylphenyl)sulfonyl]propyl}dioxo-lambda~6~-sulfane
CID 1483198
4,4'-(Cyclopropanedisulfonyl)bis(methylbenzene)
CID 1897336
1-Methylsulfanyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 9924251
1-Methyl-4-({3-[(4-methylphenyl)sulfonyl]-1-propenyl}sulfonyl)benzene
CID 997348
p,p'-Dicumylsulfone
CID 93843
1-Ethyl-4-[(4-methylphenyl)sulfonyl]benzene
CID 284215
Benzene, 1,1'-[1,4-butanediylbis(sulfonyl)]bis[4-methyl-
CID 356949
1-[(Tert-butyl)sulfonyl]-4-phenylbenzene
CID 726434
Zinc00285824
CID 787551

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene?
The IUPAC name of [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene (CID 135007499) is [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene.
What is the SMILES notation for [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene?
The canonical SMILES for [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene is C=C[C@H]1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C[C@H]1C(=C)C.
What is the InChIKey of [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene?
The InChIKey is AIIOMCKMNMTOPW-RXVVDRJESA-N. The full InChI is InChI=1S/C22H24O4S2/c1-4-18-15-22(16-21(18)17(2)3,27(23,24)19-11-7-5-8-12-19)28(25,26)20-13-9-6-10-14-20/h4-14,18,21H,1-2,15-16H2,3H3/t18-,21-/m0/s1.
What are the key properties of [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene?
[(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene has a molecular weight of 416.56 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene is sourced from PubChem (CID 135007499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).