[2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate

C17H16O4S — CID 10829195

IUPAC[2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate
SMILESC=C(C(OC(C)=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16O4S/c1-13(22(19,20)16-11-7-4-8-12-16)17(21-14(2)18)15-9-5-3-6-10-15/h3-12,17H,1H2,2H3
InChIKeyBKJDWCFYAPLBGG-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.28
Rot. Bonds5

About [2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate

[2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate (PubChem CID 10829195) has the molecular formula C17H16O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is [2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate.

Molecular Properties

Compound Name[2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate
PubChem CID10829195
Molecular FormulaC17H16O4S
Molecular Weight316.38 g/mol
Exact Mass316.08
IUPAC Name[2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate
SMILESC=C(C(OC(C)=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16O4S/c1-13(22(19,20)16-11-7-4-8-12-16)17(21-14(2)18)15-9-5-3-6-10-15/h3-12,17H,1H2,2H3
InChIKeyBKJDWCFYAPLBGG-UHFFFAOYSA-N
XLogP3.28
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 891523
4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-phenylsulfanyl-5H-furan-2-one
CID 10199429
Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester
CID 77592
4-(Isopropylsulfonyl)benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 1300413
3-Methoxy-3-(4-methylsulfonylphenyl)-1,2-dioxaspiro[5.5]undec-4-ene
CID 10520987
(2,5-Dimethylphenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 24980822
Benzyl 2-octylsulfinylacetate
CID 479450
Benzyl 2-octylsulfonylacetate
CID 479451
US8815951, Epoxide Hydrolase Inhibitor 4
CID 86766822
(Phenylthio)acetic acid, phenylmethyl ester
CID 533037
[4-(Chlorosulfonyl)phenyl]methyl acetate
CID 55279343
2-Fluorobenzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 2221601

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate?
The IUPAC name of [2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate (CID 10829195) is [2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate.
What is the SMILES notation for [2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate?
The canonical SMILES for [2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate is C=C(C(OC(C)=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate?
The InChIKey is BKJDWCFYAPLBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4S/c1-13(22(19,20)16-11-7-4-8-12-16)17(21-14(2)18)15-9-5-3-6-10-15/h3-12,17H,1H2,2H3.
What are the key properties of [2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate?
[2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate has a molecular weight of 316.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonyl)-1-phenylprop-2-enyl] acetate is sourced from PubChem (CID 10829195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).