1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene

C19H22O4S2 — CID 102143611

IUPAC1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene
SMILESC=C(CS(=O)(=O)c1ccc(CC)cc1)S(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C19H22O4S2/c1-4-16-6-10-18(11-7-16)24(20,21)14-15(3)25(22,23)19-12-8-17(5-2)9-13-19/h6-13H,3-5,14H2,1-2H3
InChIKeyPOXBOMWSYNNOGW-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.57
Rot. Bonds7

About 1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene

1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene (PubChem CID 102143611) has the molecular formula C19H22O4S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene
PubChem CID102143611
Molecular FormulaC19H22O4S2
Molecular Weight378.52 g/mol
Exact Mass378.10
IUPAC Name1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene
SMILESC=C(CS(=O)(=O)c1ccc(CC)cc1)S(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C19H22O4S2/c1-4-16-6-10-18(11-7-16)24(20,21)14-15(3)25(22,23)19-12-8-17(5-2)9-13-19/h6-13H,3-5,14H2,1-2H3
InChIKeyPOXBOMWSYNNOGW-UHFFFAOYSA-N
XLogP3.57
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(benzenesulfonyl)prop-2-enylsulfonyl]-4-methylbenzene
CID 40578886
1-(4-ethylphenyl)sulfonyl-N-methylmethanamine
CID 117036131
2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone
CID 64643722
(4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane
CID 58248155
3-(4-ethylphenyl)sulfonylpropanoate
CID 7425007
1-ethyl-4-methylsulfonylbenzene
CID 143759723
2-(4-ethylphenyl)sulfonylacetonitrile
CID 7744986
calcium bis(4-ethylbenzenesulfonate)
CID 87263292
1-ethyl-4-octylsulfonylbenzene
CID 123657292
(4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane
CID 147118244
3-(4-ethylphenyl)sulfonyl-2,2-dimethylpropan-1-amine
CID 116853143
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene?
The IUPAC name of 1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene (CID 102143611) is 1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene.
What is the SMILES notation for 1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene?
The canonical SMILES for 1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene is C=C(CS(=O)(=O)c1ccc(CC)cc1)S(=O)(=O)c1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene?
The InChIKey is POXBOMWSYNNOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4S2/c1-4-16-6-10-18(11-7-16)24(20,21)14-15(3)25(22,23)19-12-8-17(5-2)9-13-19/h6-13H,3-5,14H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene?
1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene has a molecular weight of 378.52 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene is sourced from PubChem (CID 102143611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).