[(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene

C20H22O4S2 — CID 102329855

IUPAC[(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene
SMILESC=C[C@H]1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C20H22O4S2/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/h3-13,16-17H,1,14-15H2,2H3/t16-,17+/m1/s1
InChIKeySUHNEGFBLWOJQV-SJORKVTESA-N
MW390.53 g/mol
LogP3.86
Rot. Bonds5

About [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene

[(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene (PubChem CID 102329855) has the molecular formula C20H22O4S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene.

Molecular Properties

Compound Name[(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene
PubChem CID102329855
Molecular FormulaC20H22O4S2
Molecular Weight390.53 g/mol
Exact Mass390.10
IUPAC Name[(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene
SMILESC=C[C@H]1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C20H22O4S2/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/h3-13,16-17H,1,14-15H2,2H3/t16-,17+/m1/s1
InChIKeySUHNEGFBLWOJQV-SJORKVTESA-N
XLogP3.86
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.86
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-Methyl-4-({3-[(4-methylphenyl)sulfonyl]-1-propenyl}sulfonyl)benzene
CID 997348
p,p'-Dicumylsulfone
CID 93843
Benzene, 1,1'-[1,4-butanediylbis(sulfonyl)]bis[4-methyl-
CID 356949
Zinc00285824
CID 787551
1,1'-[(2E)-but-2-ene-1,4-diyldisulfonyl]bis(4-methylbenzene)
CID 16079459
1,1'-(Methanediyldisulfonyl)bis(3-methylbenzene)
CID 275691
1-Methyl-4-[5-(4-methylphenyl)sulfonylpentylsulfonyl]benzene
CID 1781789

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene?
The IUPAC name of [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene (CID 102329855) is [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene.
What is the SMILES notation for [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene?
The canonical SMILES for [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene is C=C[C@H]1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C[C@H]1C.
What is the InChIKey of [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene?
The InChIKey is SUHNEGFBLWOJQV-SJORKVTESA-N. The full InChI is InChI=1S/C20H22O4S2/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/h3-13,16-17H,1,14-15H2,2H3/t16-,17+/m1/s1.
What are the key properties of [(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene?
[(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene has a molecular weight of 390.53 g/mol, XLogP of 3.86, 5 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-methylcyclopentyl]sulfonylbenzene is sourced from PubChem (CID 102329855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).