3,3-bis(benzenesulfonyl)-4-ethenyloxane

C19H20O5S2 — CID 10982074

IUPAC3,3-bis(benzenesulfonyl)-4-ethenyloxane
SMILESC=CC1CCOCC1(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20O5S2/c1-2-16-13-14-24-15-19(16,25(20,21)17-9-5-3-6-10-17)26(22,23)18-11-7-4-8-12-18/h2-12,16H,1,13-15H2
InChIKeyJGQOQPMECXNCDP-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.85
Rot. Bonds5

About 3,3-bis(benzenesulfonyl)-4-ethenyloxane

3,3-bis(benzenesulfonyl)-4-ethenyloxane (PubChem CID 10982074) has the molecular formula C19H20O5S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3,3-bis(benzenesulfonyl)-4-ethenyloxane.

Molecular Properties

Compound Name3,3-bis(benzenesulfonyl)-4-ethenyloxane
PubChem CID10982074
Molecular FormulaC19H20O5S2
Molecular Weight392.50 g/mol
Exact Mass392.08
IUPAC Name3,3-bis(benzenesulfonyl)-4-ethenyloxane
SMILESC=CC1CCOCC1(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20O5S2/c1-2-16-13-14-24-15-19(16,25(20,21)17-9-5-3-6-10-17)26(22,23)18-11-7-4-8-12-18/h2-12,16H,1,13-15H2
InChIKeyJGQOQPMECXNCDP-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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-ethenylcyclobutyl)sulfonylbenzene
CID 13446884
[(2S,3R,4R)-1-(benzenesulfonyl)-4-ethenyl-3-(iodomethyl)-2-methylcyclopentyl]sulfonylbenzene
CID 102329851
(4R,5R)-2,2-bis(benzenesulfonyl)-4-ethenyl-8-methylidenespiro[4.4]nonane
CID 102469207
9,9-bis(benzenesulfonyl)tricyclo[4.2.2.02,5]deca-3,7-diene
CID 134117089
[1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene
CID 122208595
(1S,2S,5R,6R)-1,2-bis(benzenesulfonyl)tricyclo[4.2.0.02,5]octane
CID 11090383
[(3S,4R)-1-(benzenesulfonyl)-3-ethenyl-4-(iodomethyl)cyclopentyl]sulfonylbenzene
CID 102329862
[1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane
CID 170783673
N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide
CID 110873083
(4S)-3,3-dimethyl-4-phenyloxane
CID 134961024
[(2R)-1-(benzenesulfonyl)-2-(3,3-dimethylbut-1-ynyl)cyclopropyl]sulfonylbenzene
CID 102328450
(2S)-2-(benzenesulfonyl)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane
CID 94035040

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(benzenesulfonyl)-4-ethenyloxane?
The IUPAC name of 3,3-bis(benzenesulfonyl)-4-ethenyloxane (CID 10982074) is 3,3-bis(benzenesulfonyl)-4-ethenyloxane.
What is the SMILES notation for 3,3-bis(benzenesulfonyl)-4-ethenyloxane?
The canonical SMILES for 3,3-bis(benzenesulfonyl)-4-ethenyloxane is C=CC1CCOCC1(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3,3-bis(benzenesulfonyl)-4-ethenyloxane?
The InChIKey is JGQOQPMECXNCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5S2/c1-2-16-13-14-24-15-19(16,25(20,21)17-9-5-3-6-10-17)26(22,23)18-11-7-4-8-12-18/h2-12,16H,1,13-15H2.
What are the key properties of 3,3-bis(benzenesulfonyl)-4-ethenyloxane?
3,3-bis(benzenesulfonyl)-4-ethenyloxane has a molecular weight of 392.50 g/mol, XLogP of 2.85, 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)-4-ethenyloxane is sourced from PubChem (CID 10982074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).