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

C22H24O4S2 — CID 24814306

IUPAC[(3S,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+/m1/s1
InChIKeyAIIOMCKMNMTOPW-NQIIRXRSSA-N
MW416.56 g/mol
LogP4.42
Rot. Bonds6

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

[(3S,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene (PubChem CID 24814306) has the molecular formula C22H24O4S2 and a molecular weight of 416.56 g/mol. Its IUPAC name is [(3S,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene.

Molecular Properties

Compound Name[(3S,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene
PubChem CID24814306
Molecular FormulaC22H24O4S2
Molecular Weight416.56 g/mol
Exact Mass416.11
IUPAC Name[(3S,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+/m1/s1
InChIKeyAIIOMCKMNMTOPW-NQIIRXRSSA-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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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene?
The IUPAC name of [(3S,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene (CID 24814306) is [(3S,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene.
What is the SMILES notation for [(3S,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene?
The canonical SMILES for [(3S,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 [(3S,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene?
The InChIKey is AIIOMCKMNMTOPW-NQIIRXRSSA-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+/m1/s1.
What are the key properties of [(3S,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene?
[(3S,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 [(3S,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene is sourced from PubChem (CID 24814306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).