[(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene

C17H18O3S — CID 15309668

IUPAC[(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene
SMILESCC(C)O/C=C(/c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18O3S/c1-14(2)20-13-17(15-9-5-3-6-10-15)21(18,19)16-11-7-4-8-12-16/h3-14H,1-2H3/b17-13-
InChIKeyGSEVFLQYYUADBK-LGMDPLHJSA-N
MW302.40 g/mol
LogP3.88
Rot. Bonds5

About [(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene

[(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene (PubChem CID 15309668) has the molecular formula C17H18O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is [(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene.

Molecular Properties

Compound Name[(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene
PubChem CID15309668
Molecular FormulaC17H18O3S
Molecular Weight302.40 g/mol
Exact Mass302.10
IUPAC Name[(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene
SMILESCC(C)O/C=C(/c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18O3S/c1-14(2)20-13-17(15-9-5-3-6-10-15)21(18,19)16-11-7-4-8-12-16/h3-14H,1-2H3/b17-13-
InChIKeyGSEVFLQYYUADBK-LGMDPLHJSA-N
XLogP3.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
O-ethyl 2-(4-phenylphenyl)sulfonylethanethioate
CID 25215941
3-Methylphenyl phenyl sulfone
CID 221136
1-methyl-4-[(E)-2-[4-methyl-1-(4-methylphenyl)sulfonylpent-1-yn-3-yl]oxyethenyl]sulfonylbenzene
CID 46887408
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
Bis(methylphenyl) sulphone
CID 601881
Benzene, 1-methyl-2-(phenylsulfonyl)-
CID 616013
1-Methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene
CID 71981822
1-Ethyl-4-[(4-methylphenyl)sulfonyl]benzene
CID 284215
[(Z)-1,2-diphenylethenyl]sulfonylbenzene
CID 5382434
(E)-1-Phenyl-2-phenylsulfonyl-1-propene
CID 5966011

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene?
The IUPAC name of [(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene (CID 15309668) is [(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene.
What is the SMILES notation for [(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene?
The canonical SMILES for [(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene is CC(C)O/C=C(/c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene?
The InChIKey is GSEVFLQYYUADBK-LGMDPLHJSA-N. The full InChI is InChI=1S/C17H18O3S/c1-14(2)20-13-17(15-9-5-3-6-10-15)21(18,19)16-11-7-4-8-12-16/h3-14H,1-2H3/b17-13-.
What are the key properties of [(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene?
[(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene has a molecular weight of 302.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene is sourced from PubChem (CID 15309668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).