2-(benzenesulfonyl)prop-2-enyl acetate

C11H12O4S — CID 91999686

IUPAC2-(benzenesulfonyl)prop-2-enyl acetate
SMILESC=C(COC(C)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12O4S/c1-9(8-15-10(2)12)16(13,14)11-6-4-3-5-7-11/h3-7H,1,8H2,2H3
InChIKeyJXUFMOXWAAIWDC-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.54
Rot. Bonds4

About 2-(benzenesulfonyl)prop-2-enyl acetate

2-(benzenesulfonyl)prop-2-enyl acetate (PubChem CID 91999686) has the molecular formula C11H12O4S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(benzenesulfonyl)prop-2-enyl acetate.

Molecular Properties

Compound Name2-(benzenesulfonyl)prop-2-enyl acetate
PubChem CID91999686
Molecular FormulaC11H12O4S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name2-(benzenesulfonyl)prop-2-enyl acetate
SMILESC=C(COC(C)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12O4S/c1-9(8-15-10(2)12)16(13,14)11-6-4-3-5-7-11/h3-7H,1,8H2,2H3
InChIKeyJXUFMOXWAAIWDC-UHFFFAOYSA-N
XLogP1.54
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonyl)prop-2-enoxybenzene
CID 138971446
dimethyl 2-[2-(benzenesulfonyl)prop-2-enyl]propanedioate
CID 10638838
[(E)-4-(benzenesulfonyl)-2-methylbut-2-enyl] acetate
CID 13382269
1-[2-(benzenesulfonyl)prop-2-enylsulfonyl]-4-methylbenzene
CID 40578886
CID 87966251
CID 87966251
[4-(benzenesulfonyl)-2,2-bis(benzenesulfonyloxymethyl)pent-4-enyl] benzenesulfonate
CID 89088812
[(Z)-2,3-dihydroxy-3-phenylprop-2-enyl] acetate
CID 70189068
octyl 2-(benzenesulfonyl)prop-2-enoate
CID 89351814
buta-2,3-dien-2-ylsulfonylbenzene
CID 11830311
(3Z)-3-(benzenesulfonyl)-4-chloro-5-methylhexa-3,5-dien-2-one
CID 102428967
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
dimethyl 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-[2-(benzenesulfonyl)prop-2-enyl]propanedioate
CID 10767849

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)prop-2-enyl acetate?
The IUPAC name of 2-(benzenesulfonyl)prop-2-enyl acetate (CID 91999686) is 2-(benzenesulfonyl)prop-2-enyl acetate.
What is the SMILES notation for 2-(benzenesulfonyl)prop-2-enyl acetate?
The canonical SMILES for 2-(benzenesulfonyl)prop-2-enyl acetate is C=C(COC(C)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)prop-2-enyl acetate?
The InChIKey is JXUFMOXWAAIWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4S/c1-9(8-15-10(2)12)16(13,14)11-6-4-3-5-7-11/h3-7H,1,8H2,2H3.
What are the key properties of 2-(benzenesulfonyl)prop-2-enyl acetate?
2-(benzenesulfonyl)prop-2-enyl acetate has a molecular weight of 240.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)prop-2-enyl acetate is sourced from PubChem (CID 91999686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).