[(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene

C24H24O3S2 — CID 10916877

IUPAC[(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene
SMILESCO/C(=C/Sc1ccccc1)C(C)(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24O3S2/c1-24(18-20-12-6-3-7-13-20,29(25,26)22-16-10-5-11-17-22)23(27-2)19-28-21-14-8-4-9-15-21/h3-17,19H,18H2,1-2H3/b23-19+
InChIKeyBPOWDLVLWCWZTR-FCDQGJHFSA-N
MW424.59 g/mol
LogP5.74
Rot. Bonds8

About [(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene

[(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene (PubChem CID 10916877) has the molecular formula C24H24O3S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is [(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene
PubChem CID10916877
Molecular FormulaC24H24O3S2
Molecular Weight424.59 g/mol
Exact Mass424.12
IUPAC Name[(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene
SMILESCO/C(=C/Sc1ccccc1)C(C)(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24O3S2/c1-24(18-20-12-6-3-7-13-20,29(25,26)22-16-10-5-11-17-22)23(27-2)19-28-21-14-8-4-9-15-21/h3-17,19H,18H2,1-2H3/b23-19+
InChIKeyBPOWDLVLWCWZTR-FCDQGJHFSA-N
XLogP5.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[2-(Benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
O-ethyl 2-(4-phenylphenyl)sulfonylethanethioate
CID 25215941
[5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-enyl] nitrate
CID 155539669
4-(4-Methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol
CID 155541121
5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
CID 155552943
1,1'-[(Phenylsulfonyl)methanediyl]dibenzene
CID 225270
5-(Benzenesulfonyl)-2,3-diphenyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 44421527
1-(2,2-Diphenylethenesulfonyl)-4-methylbenzene
CID 284376
[(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene
CID 11131441
1-(3,3-Diphenylprop-2-enylsulfonyl)-4-methylbenzene
CID 122231055
(E)-4-(benzenesulfonyl)-3,9-dimethyl-1,11-diphenylundec-8-en-3-ol
CID 134981790
2,2-Bis(benzenesulfonyl)ethylbenzene
CID 12409717

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene?
The IUPAC name of [(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene (CID 10916877) is [(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene.
What is the SMILES notation for [(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene?
The canonical SMILES for [(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene is CO/C(=C/Sc1ccccc1)C(C)(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene?
The InChIKey is BPOWDLVLWCWZTR-FCDQGJHFSA-N. The full InChI is InChI=1S/C24H24O3S2/c1-24(18-20-12-6-3-7-13-20,29(25,26)22-16-10-5-11-17-22)23(27-2)19-28-21-14-8-4-9-15-21/h3-17,19H,18H2,1-2H3/b23-19+.
What are the key properties of [(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene?
[(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene has a molecular weight of 424.59 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(benzenesulfonyl)-3-methoxy-2-methyl-4-phenylsulfanylbut-3-enyl]benzene is sourced from PubChem (CID 10916877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).