[6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene

C24H26O5S2 — CID 10939452

IUPAC[6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene
SMILESO=S(=O)(C1=CCCCC1OC1CCCC=C1S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O5S2/c25-30(26,19-11-3-1-4-12-19)23-17-9-7-15-21(23)29-22-16-8-10-18-24(22)31(27,28)20-13-5-2-6-14-20/h1-6,11-14,17-18,21-22H,7-10,15-16H2
InChIKeyOFKMQKWGJWMKAV-UHFFFAOYSA-N
MW458.60 g/mol
LogP4.82
Rot. Bonds6

About [6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene

[6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene (PubChem CID 10939452) has the molecular formula C24H26O5S2 and a molecular weight of 458.60 g/mol. Its IUPAC name is [6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene.

Molecular Properties

Compound Name[6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene
PubChem CID10939452
Molecular FormulaC24H26O5S2
Molecular Weight458.60 g/mol
Exact Mass458.12
IUPAC Name[6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene
SMILESO=S(=O)(C1=CCCCC1OC1CCCC=C1S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O5S2/c25-30(26,19-11-3-1-4-12-19)23-17-9-7-15-21(23)29-22-16-8-10-18-24(22)31(27,28)20-13-5-2-6-14-20/h1-6,11-14,17-18,21-22H,7-10,15-16H2
InChIKeyOFKMQKWGJWMKAV-UHFFFAOYSA-N
XLogP4.82
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,2-Di(benzenesulfonyl)ethyl]oxirane
CID 13776904
5-(benzenesulfonyl)-6-methyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran
CID 14913022
2-[6,6-Bis(benzenesulfonyl)hexyl]-3-ethenyloxirane
CID 134880432
3,5-Bis(phenylsulfonyl)-3,6-dihydro-2H-pyran
CID 361139
[(1R,4R,5R,6R)-5,6-bis(benzenesulfonyl)-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methanethiol
CID 399574
[(3S,6S)-3-methoxy-6-methylcyclohexen-1-yl]sulfonylbenzene
CID 11777707
(2S,6Z,8S)-4,4-bis(benzenesulfonyl)-8-ethyl-2-hexyl-2,3,5,8-tetrahydrooxocine
CID 10918168
[(2E)-5,5-bis(benzenesulfonyl)octa-2,7-dienyl] acetate
CID 11026712
3,3-Bis(benzenesulfonyl)-2-ethenyloxane
CID 11761019
3-(benzenesulfonyl)-2-propyl-6,7,8,8a-tetrahydro-4H-chromene
CID 101805321
1-[2-(Benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene
CID 102279382
Diphenylsulfonyl-tetrahydrofuran
CID 129735683

Frequently Asked Questions

What is the IUPAC name of [6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene?
The IUPAC name of [6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene (CID 10939452) is [6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene.
What is the SMILES notation for [6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene?
The canonical SMILES for [6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene is O=S(=O)(C1=CCCCC1OC1CCCC=C1S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene?
The InChIKey is OFKMQKWGJWMKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O5S2/c25-30(26,19-11-3-1-4-12-19)23-17-9-7-15-21(23)29-22-16-8-10-18-24(22)31(27,28)20-13-5-2-6-14-20/h1-6,11-14,17-18,21-22H,7-10,15-16H2.
What are the key properties of [6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene?
[6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene has a molecular weight of 458.60 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(benzenesulfonyl)cyclohex-2-en-1-yl]oxycyclohexen-1-yl]sulfonylbenzene is sourced from PubChem (CID 10939452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).