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

C17H15NO5S — CID 139053443

IUPAC[(3R)-1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate
SMILESCC(=O)O[C@@]1(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/t17-/m1/s1
InChIKeyHVUVVGQKNHDXIZ-QGZVFWFLSA-N
MW345.38 g/mol
LogP2.20
Rot. Bonds3

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

[(3R)-1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate (PubChem CID 139053443) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is [(3R)-1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate
PubChem CID139053443
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name[(3R)-1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate
SMILESCC(=O)O[C@@]1(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/t17-/m1/s1
InChIKeyHVUVVGQKNHDXIZ-QGZVFWFLSA-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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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate?
The IUPAC name of [(3R)-1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate (CID 139053443) is [(3R)-1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate.
What is the SMILES notation for [(3R)-1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate?
The canonical SMILES for [(3R)-1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate is CC(=O)O[C@@]1(C)C(=O)N(S(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [(3R)-1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate?
The InChIKey is HVUVVGQKNHDXIZ-QGZVFWFLSA-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/t17-/m1/s1.
What are the key properties of [(3R)-1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate?
[(3R)-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 [(3R)-1-(benzenesulfonyl)-3-methyl-2-oxoindol-3-yl] acetate is sourced from PubChem (CID 139053443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).