[(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene

C20H20O4S2 — CID 10960076

IUPAC[(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene
SMILESO=S(=O)(/C=C/C1=C(S(=O)(=O)c2ccccc2)CCCC1)c1ccccc1
InChIInChI=1S/C20H20O4S2/c21-25(22,18-10-3-1-4-11-18)16-15-17-9-7-8-14-20(17)26(23,24)19-12-5-2-6-13-19/h1-6,10-13,15-16H,7-9,14H2/b16-15+
InChIKeyXJYNWWKERUVXNH-FOCLMDBBSA-N
MW388.51 g/mol
LogP4.28
Rot. Bonds5

About [(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene

[(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene (PubChem CID 10960076) has the molecular formula C20H20O4S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is [(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene
PubChem CID10960076
Molecular FormulaC20H20O4S2
Molecular Weight388.51 g/mol
Exact Mass388.08
IUPAC Name[(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene
SMILESO=S(=O)(/C=C/C1=C(S(=O)(=O)c2ccccc2)CCCC1)c1ccccc1
InChIInChI=1S/C20H20O4S2/c21-25(22,18-10-3-1-4-11-18)16-15-17-9-7-8-14-20(17)26(23,24)19-12-5-2-6-13-19/h1-6,10-13,15-16H,7-9,14H2/b16-15+
InChIKeyXJYNWWKERUVXNH-FOCLMDBBSA-N
XLogP4.28
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonyl)cyclohexen-1-ol
CID 175687193
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
CID 78131907
1-[(Z)-2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
CID 71609102
(3aE)-4-(benzenesulfonyl)-3,5,6,7,8,9-hexahydrocyclopenta[8]annulen-2-one
CID 101210731
[(E)-2-[(E)-2-(benzenesulfonyl)ethenyl]sulfonylethenyl]benzene
CID 15531132
3-(benzenesulfonyl)prop-2-enamide;dihydrochloride
CID 129105097
3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine
CID 11817425
1-[(E)-2-(benzenesulfonyl)ethenyl]cyclohexan-1-ol
CID 14785612
1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene
CID 175536541
2-[(7E)-2-(benzenesulfonyl)-7-benzylidenecyclohepten-1-yl]prop-2-en-1-ol
CID 11589005
(E)-3-(benzenesulfonyl)prop-2-enoic acid;pentahydrate
CID 19831534

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene?
The IUPAC name of [(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene (CID 10960076) is [(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene.
What is the SMILES notation for [(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene?
The canonical SMILES for [(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene is O=S(=O)(/C=C/C1=C(S(=O)(=O)c2ccccc2)CCCC1)c1ccccc1.
What is the InChIKey of [(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene?
The InChIKey is XJYNWWKERUVXNH-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H20O4S2/c21-25(22,18-10-3-1-4-11-18)16-15-17-9-7-8-14-20(17)26(23,24)19-12-5-2-6-13-19/h1-6,10-13,15-16H,7-9,14H2/b16-15+.
What are the key properties of [(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene?
[(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene has a molecular weight of 388.51 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[2-(benzenesulfonyl)cyclohexen-1-yl]ethenyl]sulfonylbenzene is sourced from PubChem (CID 10960076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).