[(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene

C28H30O5S2 — CID 11295187

IUPAC[(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene
SMILESCOC(C)(C)C1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C/C1=C/c1ccccc1
InChIInChI=1S/C28H30O5S2/c1-27(2,33-3)26-21-28(34(29,30)24-15-9-5-10-16-24,35(31,32)25-17-11-6-12-18-25)20-23(26)19-22-13-7-4-8-14-22/h4-19,26H,20-21H2,1-3H3/b23-19-
InChIKeyQLZVVBVGYDYWQB-NMWGTECJSA-N
MW510.68 g/mol
LogP5.55
Rot. Bonds7

About [(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene

[(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene (PubChem CID 11295187) has the molecular formula C28H30O5S2 and a molecular weight of 510.68 g/mol. Its IUPAC name is [(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene.

Molecular Properties

Compound Name[(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene
PubChem CID11295187
Molecular FormulaC28H30O5S2
Molecular Weight510.68 g/mol
Exact Mass510.15
IUPAC Name[(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene
SMILESCOC(C)(C)C1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C/C1=C/c1ccccc1
InChIInChI=1S/C28H30O5S2/c1-27(2,33-3)26-21-28(34(29,30)24-15-9-5-10-16-24,35(31,32)25-17-11-6-12-18-25)20-23(26)19-22-13-7-4-8-14-22/h4-19,26H,20-21H2,1-3H3/b23-19-
InChIKeyQLZVVBVGYDYWQB-NMWGTECJSA-N
XLogP5.55
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene with MolForge

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Related Compounds

5,5-Bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol
CID 135070954
[1-(Benzenesulfonyl)-3-(2-methoxypropan-2-yl)-4-methylidenecyclopentyl]sulfonylbenzene
CID 11384998
[(Z)-[(2S)-4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene
CID 101579569
[(R)-[(1S)-4,4-bis(benzenesulfonyl)-2-methylidenecyclopentyl]-methoxymethyl]benzene
CID 102462467
[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
(1-Methoxy-4-(phenylsulfonyl)pent-4-en-2-yl)benzene
CID 168008398
3-Phenyl-5-(phenylsulfonyl)hex-5-en-1-yl 4-methylbenzenesulfonate
CID 168008416
Xvuxqlpntlmvjy-rpwuzvmvsa-
CID 21762208
2,2-Dimethoxyhexane;2,3-dimethylheptane-2-sulfonate;ethane;triphenylsulfanium
CID 161662060
(1S)-1-[(1S)-4,4-bis(benzenesulfonyl)-2-methylidenecyclopentyl]ethanol
CID 10916532
[(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene
CID 10916877

Frequently Asked Questions

What is the IUPAC name of [(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene?
The IUPAC name of [(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene (CID 11295187) is [(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene.
What is the SMILES notation for [(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene?
The canonical SMILES for [(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene is COC(C)(C)C1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)C/C1=C/c1ccccc1.
What is the InChIKey of [(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene?
The InChIKey is QLZVVBVGYDYWQB-NMWGTECJSA-N. The full InChI is InChI=1S/C28H30O5S2/c1-27(2,33-3)26-21-28(34(29,30)24-15-9-5-10-16-24,35(31,32)25-17-11-6-12-18-25)20-23(26)19-22-13-7-4-8-14-22/h4-19,26H,20-21H2,1-3H3/b23-19-.
What are the key properties of [(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene?
[(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene has a molecular weight of 510.68 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[4,4-bis(benzenesulfonyl)-2-(2-methoxypropan-2-yl)cyclopentylidene]methyl]benzene is sourced from PubChem (CID 11295187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).