[(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene

C17H14O3S — CID 101096056

IUPAC[(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene
SMILESC#CCO/C(=C\S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O3S/c1-2-13-20-17(15-9-5-3-6-10-15)14-21(18,19)16-11-7-4-8-12-16/h1,3-12,14H,13H2/b17-14-
InChIKeyBENROIJQQOKTHK-VKAVYKQESA-N
MW298.36 g/mol
LogP3.11
Rot. Bonds5

About [(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene

[(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene (PubChem CID 101096056) has the molecular formula C17H14O3S and a molecular weight of 298.36 g/mol. Its IUPAC name is [(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene.

Molecular Properties

Compound Name[(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene
PubChem CID101096056
Molecular FormulaC17H14O3S
Molecular Weight298.36 g/mol
Exact Mass298.07
IUPAC Name[(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene
SMILESC#CCO/C(=C\S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O3S/c1-2-13-20-17(15-9-5-3-6-10-15)14-21(18,19)16-11-7-4-8-12-16/h1,3-12,14H,13H2/b17-14-
InChIKeyBENROIJQQOKTHK-VKAVYKQESA-N
XLogP3.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
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CID 10903050
2-chloroprop-1-enylsulfonylbenzene
CID 71326207
(E)-1-(benzenesulfonyl)prop-1-en-2-ol
CID 118410381
[(E)-2-ethoxy-5,5-dimethylhex-1-en-3-ynyl]sulfonylbenzene
CID 177499106
prop-2-ynyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 51173015
[(E)-2-(4-chlorophenyl)sulfonyl-1-phenylethenoxy]-diethoxy-sulfanylidene-λ5-phosphane
CID 134087274
sodium (Z)-1-(benzenesulfonyl)-3-ethoxy-3-oxoprop-1-en-2-olate
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N-[(E)-3-(benzenesulfonyl)-2-iodoprop-2-enyl]formamide
CID 134891557
[4-(benzenesulfonyl)-3-methylbut-3-en-1-ynyl]-trimethylsilane
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N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide
CID 162400578

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene?
The IUPAC name of [(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene (CID 101096056) is [(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene.
What is the SMILES notation for [(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene?
The canonical SMILES for [(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene is C#CCO/C(=C\S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene?
The InChIKey is BENROIJQQOKTHK-VKAVYKQESA-N. The full InChI is InChI=1S/C17H14O3S/c1-2-13-20-17(15-9-5-3-6-10-15)14-21(18,19)16-11-7-4-8-12-16/h1,3-12,14H,13H2/b17-14-.
What are the key properties of [(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene?
[(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene has a molecular weight of 298.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene is sourced from PubChem (CID 101096056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).