3,3-bis(benzenesulfonyl)-2-ethenyloxane

C19H20O5S2 — CID 11761019

IUPAC3,3-bis(benzenesulfonyl)-2-ethenyloxane
SMILESC=CC1OCCCC1(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20O5S2/c1-2-18-19(14-9-15-24-18,25(20,21)16-10-5-3-6-11-16)26(22,23)17-12-7-4-8-13-17/h2-8,10-13,18H,1,9,14-15H2
InChIKeyFHUQGCJLNJGSAQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.00
Rot. Bonds5

About 3,3-bis(benzenesulfonyl)-2-ethenyloxane

3,3-bis(benzenesulfonyl)-2-ethenyloxane (PubChem CID 11761019) has the molecular formula C19H20O5S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3,3-bis(benzenesulfonyl)-2-ethenyloxane.

Molecular Properties

Compound Name3,3-bis(benzenesulfonyl)-2-ethenyloxane
PubChem CID11761019
Molecular FormulaC19H20O5S2
Molecular Weight392.50 g/mol
Exact Mass392.08
IUPAC Name3,3-bis(benzenesulfonyl)-2-ethenyloxane
SMILESC=CC1OCCCC1(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20O5S2/c1-2-18-19(14-9-15-24-18,25(20,21)16-10-5-3-6-11-16)26(22,23)17-12-7-4-8-13-17/h2-8,10-13,18H,1,9,14-15H2
InChIKeyFHUQGCJLNJGSAQ-UHFFFAOYSA-N
XLogP3.00
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.00
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

2-[2,2-Di(benzenesulfonyl)ethyl]oxirane
CID 13776904
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
2-(Benzenesulfonyl)-6-[(4-fluorocyclohexyl)oxymethyl]oxane
CID 140423768
(6S)-2-(benzenesulfonyl)-6-[(4-fluorocyclohexyl)oxymethyl]oxane
CID 140438463
[1-(Benzenesulfonyl)-4-propa-1,2-dienoxybutyl]sulfonylbenzene
CID 10905266
(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
[(3S)-1-(benzenesulfonyl)-3-[(E)-6-chlorohex-4-en-3-yl]oxynonyl]sulfonylbenzene
CID 11103513
(6S)-2-(benzenesulfonyl)-6-methyloxane
CID 14934397
1-[2-(Benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene
CID 102279382

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(benzenesulfonyl)-2-ethenyloxane?
The IUPAC name of 3,3-bis(benzenesulfonyl)-2-ethenyloxane (CID 11761019) is 3,3-bis(benzenesulfonyl)-2-ethenyloxane.
What is the SMILES notation for 3,3-bis(benzenesulfonyl)-2-ethenyloxane?
The canonical SMILES for 3,3-bis(benzenesulfonyl)-2-ethenyloxane is C=CC1OCCCC1(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3,3-bis(benzenesulfonyl)-2-ethenyloxane?
The InChIKey is FHUQGCJLNJGSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5S2/c1-2-18-19(14-9-15-24-18,25(20,21)16-10-5-3-6-11-16)26(22,23)17-12-7-4-8-13-17/h2-8,10-13,18H,1,9,14-15H2.
What are the key properties of 3,3-bis(benzenesulfonyl)-2-ethenyloxane?
3,3-bis(benzenesulfonyl)-2-ethenyloxane has a molecular weight of 392.50 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(benzenesulfonyl)-2-ethenyloxane is sourced from PubChem (CID 11761019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).