[1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene

C22H26O5S2 — CID 11384998

IUPAC[1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene
SMILESC=C1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)CC1C(C)(C)OC
InChIInChI=1S/C22H26O5S2/c1-17-15-22(16-20(17)21(2,3)27-4,28(23,24)18-11-7-5-8-12-18)29(25,26)19-13-9-6-10-14-19/h5-14,20H,1,15-16H2,2-4H3
InChIKeyCMOOABBWELSJMA-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.02
Rot. Bonds6

About [1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene

[1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene (PubChem CID 11384998) has the molecular formula C22H26O5S2 and a molecular weight of 434.58 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene
PubChem CID11384998
Molecular FormulaC22H26O5S2
Molecular Weight434.58 g/mol
Exact Mass434.12
IUPAC Name[1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene
SMILESC=C1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)CC1C(C)(C)OC
InChIInChI=1S/C22H26O5S2/c1-17-15-22(16-20(17)21(2,3)27-4,28(23,24)18-11-7-5-8-12-18)29(25,26)19-13-9-6-10-14-19/h5-14,20H,1,15-16H2,2-4H3
InChIKeyCMOOABBWELSJMA-UHFFFAOYSA-N
XLogP4.02
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(Benzenesulfonyl)-3-ethenyl-4-methylidenecyclopentyl]sulfonylbenzene
CID 14202339
[(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene
CID 11295187
[1-(Benzenesulfonyl)-3-methylidene-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene
CID 11732168
[(3S,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene
CID 24814306
[4,4-Bis(benzenesulfonyl)-2-methylcyclopentyl]methanol
CID 45101684
[(Z)-[(2S)-4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene
CID 101579569
[(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene
CID 102329855
[(3R,4S)-1-(benzenesulfonyl)-3-ethenyl-4-methylcyclopentyl]sulfonylbenzene
CID 102329857
[1-(Benzenesulfonyl)-3-methylidene-4-(2-prop-2-enoxypropan-2-yl)cyclopentyl]sulfonylbenzene
CID 134866858
(2R)-2-[(1R,2S)-4,4-bis(benzenesulfonyl)-2-ethenylcyclopentyl]-6-methylhept-5-en-2-ol
CID 134955826
[(3R,4R)-1-(benzenesulfonyl)-3-ethenyl-4-prop-1-en-2-ylcyclopentyl]sulfonylbenzene
CID 135007499
Arl628_RX
CID 139185377

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene?
The IUPAC name of [1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene (CID 11384998) is [1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene.
What is the SMILES notation for [1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene?
The canonical SMILES for [1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene is C=C1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)CC1C(C)(C)OC.
What is the InChIKey of [1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene?
The InChIKey is CMOOABBWELSJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5S2/c1-17-15-22(16-20(17)21(2,3)27-4,28(23,24)18-11-7-5-8-12-18)29(25,26)19-13-9-6-10-14-19/h5-14,20H,1,15-16H2,2-4H3.
What are the key properties of [1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene?
[1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene has a molecular weight of 434.58 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene is sourced from PubChem (CID 11384998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).