[(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene

C19H20O5S2 — CID 15092081

IUPAC[(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene
SMILESCOC(C)/C(=C/C=C/S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20O5S2/c1-16(24-2)19(26(22,23)18-12-7-4-8-13-18)14-9-15-25(20,21)17-10-5-3-6-11-17/h3-16H,1-2H3/b15-9+,19-14-
InChIKeyGHSYDDOWQRRKHF-SRGWDDTOSA-N
MW392.50 g/mol
LogP3.37
Rot. Bonds7

About [(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene

[(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene (PubChem CID 15092081) has the molecular formula C19H20O5S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is [(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene.

Molecular Properties

Compound Name[(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene
PubChem CID15092081
Molecular FormulaC19H20O5S2
Molecular Weight392.50 g/mol
Exact Mass392.08
IUPAC Name[(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene
SMILESCOC(C)/C(=C/C=C/S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20O5S2/c1-16(24-2)19(26(22,23)18-12-7-4-8-13-18)14-9-15-25(20,21)17-10-5-3-6-11-17/h3-16H,1-2H3/b15-9+,19-14-
InChIKeyGHSYDDOWQRRKHF-SRGWDDTOSA-N
XLogP3.37
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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
((1-(Phenylsulfonyl)butyl)sulfonyl)benzene
CID 363330
[(E)-1-(benzenesulfonyl)pent-3-enyl]sulfonylbenzene
CID 5467261
(3Z,5E)-6-(benzenesulfonyl)-2-methyl-3-phenylsulfanylhexa-3,5-dien-2-ol
CID 6010473
2-Prop-2-enoxyprop-2-enylsulfonylbenzene
CID 12808968
2-[2,2-Di(benzenesulfonyl)ethyl]oxirane
CID 13776904
2,2-Dimethyl-3-[2,2-bis(phenylsulfonyl)ethyl]oxirane
CID 14911920
5-(benzenesulfonyl)-6-methyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran
CID 14913022
2-[6,6-Bis(benzenesulfonyl)hexyl]-3-ethenyloxirane
CID 134880432
6G-434S
CID 3524386

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene?
The IUPAC name of [(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene (CID 15092081) is [(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene.
What is the SMILES notation for [(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene?
The canonical SMILES for [(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene is COC(C)/C(=C/C=C/S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene?
The InChIKey is GHSYDDOWQRRKHF-SRGWDDTOSA-N. The full InChI is InChI=1S/C19H20O5S2/c1-16(24-2)19(26(22,23)18-12-7-4-8-13-18)14-9-15-25(20,21)17-10-5-3-6-11-17/h3-16H,1-2H3/b15-9+,19-14-.
What are the key properties of [(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene?
[(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene has a molecular weight of 392.50 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-4-(benzenesulfonyl)-5-methoxyhexa-1,3-dienyl]sulfonylbenzene is sourced from PubChem (CID 15092081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).