[1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate

C17H15NO5S — CID 11131751

IUPAC[1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate
SMILESCC(=O)OC1(C)C(=O)N(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C17H15NO5S/c1-12(19)23-17(2)14-10-6-7-11-15(14)18(16(17)20)24(21,22)13-8-4-3-5-9-13/h3-11H,1-2H3
InChIKeyHVUVVGQKNHDXIZ-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.20
Rot. Bonds3

About [1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate

[1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate (PubChem CID 11131751) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate
PubChem CID11131751
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name[1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate
SMILESCC(=O)OC1(C)C(=O)N(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C17H15NO5S/c1-12(19)23-17(2)14-10-6-7-11-15(14)18(16(17)20)24(21,22)13-8-4-3-5-9-13/h3-11H,1-2H3
InChIKeyHVUVVGQKNHDXIZ-UHFFFAOYSA-N
XLogP2.20
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 4283857
[2-(2-Methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2998430
N-[2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 154712748
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2585631
[1-(2,3-Dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 4517012
(2-Oxo-1,3-diphenylindol-3-yl) acetate
CID 11046152
Tert-butyl 3-((tert-butoxycarbonyl)oxy)-2-oxo-3-phenylindoline-1-carboxylate
CID 126842370
5-Bromo-2-oxo-3-(3-oxobutyl)-1-(phenylsulfonyl)indolin-3-yl acetate
CID 134820900
3-Butyl 3-acetoxy oxindole
CID 135122010
1-(4-Flourobenzenesulfonyl)-3-(1',3'-dioxolynyl)-5-methyl-1,3-dihydro-2H-indol-2-one
CID 3732757
(3-methyl-2-oxo-1H-indol-3-yl) acetate
CID 15832335
(1-Ethyl-2-oxo-3-phenylindol-3-yl) acetate
CID 12076444

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate?
The IUPAC name of [1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate (CID 11131751) is [1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate.
What is the SMILES notation for [1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate?
The canonical SMILES for [1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate is CC(=O)OC1(C)C(=O)N(S(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate?
The InChIKey is HVUVVGQKNHDXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c1-12(19)23-17(2)14-10-6-7-11-15(14)18(16(17)20)24(21,22)13-8-4-3-5-9-13/h3-11H,1-2H3.
What are the key properties of [1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate?
[1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate has a molecular weight of 345.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate is sourced from PubChem (CID 11131751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).