1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene

C20H18O5S2 — CID 102279382

IUPAC1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene
SMILESC=C=C(COCC(=C=C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18O5S2/c1-3-17(26(21,22)19-11-7-5-8-12-19)15-25-16-18(4-2)27(23,24)20-13-9-6-10-14-20/h5-14H,1-2,15-16H2
InChIKeyZVSSLVKVIQMFOW-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.29
Rot. Bonds8

About 1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene

1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene (PubChem CID 102279382) has the molecular formula C20H18O5S2 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene
PubChem CID102279382
Molecular FormulaC20H18O5S2
Molecular Weight402.49 g/mol
Exact Mass402.06
IUPAC Name1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene
SMILESC=C=C(COCC(=C=C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18O5S2/c1-3-17(26(21,22)19-11-7-5-8-12-19)15-25-16-18(4-2)27(23,24)20-13-9-6-10-14-20/h5-14H,1-2,15-16H2
InChIKeyZVSSLVKVIQMFOW-UHFFFAOYSA-N
XLogP3.29
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Benzene, 1,1'-[cyclopentylidenebis(sulfonyl)]bis-
CID 1380165
Ethyl 3,3-bis(benzenesulfonyl)propanoate
CID 279787
1,1'-(2-Butene-1,2-diyldisulfonyl)dibenzene
CID 886377
(Z)-3,4-bis(benzenesulfonyl)but-2-en-1-ol
CID 5389617
4-(Benzenesulfonyl)but-2-enylsulfonylbenzene
CID 228202
Benzene, 1,1'-[cyclohexylidenebis(sulfonyl)]bis-
CID 1210996
Oxydi(ethane-2,1-diyl) dibenzenesulfonate
CID 220304
Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]-
CID 356450
Phenyl 1-(phenylthio)-3-cyclopenten-1-yl sulfone
CID 366069
2-Prop-2-enoxyprop-2-enylsulfonylbenzene
CID 12808968
[2-(Benzenesulfonyl)cyclobuten-1-yl]sulfonylbenzene
CID 13723785
2-[2,2-Di(benzenesulfonyl)ethyl]oxirane
CID 13776904

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene?
The IUPAC name of 1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene (CID 102279382) is 1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene.
What is the SMILES notation for 1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene?
The canonical SMILES for 1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene is C=C=C(COCC(=C=C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene?
The InChIKey is ZVSSLVKVIQMFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5S2/c1-3-17(26(21,22)19-11-7-5-8-12-19)15-25-16-18(4-2)27(23,24)20-13-9-6-10-14-20/h5-14H,1-2,15-16H2.
What are the key properties of 1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene?
1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene has a molecular weight of 402.49 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)buta-2,3-dienoxy]buta-2,3-dien-2-ylsulfonylbenzene is sourced from PubChem (CID 102279382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).