methyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate

C11H11NO5S — CID 3243665

IUPACmethyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate
SMILESCOC(=O)CS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H11NO5S/c1-17-11(14)6-18(15,16)8-2-3-9-7(4-8)5-10(13)12-9/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyKVYZVWXDFXLMJI-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.13
Rot. Bonds3

About methyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate

methyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate (PubChem CID 3243665) has the molecular formula C11H11NO5S and a molecular weight of 269.28 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate
PubChem CID3243665
Molecular FormulaC11H11NO5S
Molecular Weight269.28 g/mol
Exact Mass269.04
IUPAC Namemethyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate
SMILESCOC(=O)CS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H11NO5S/c1-17-11(14)6-18(15,16)8-2-3-9-7(4-8)5-10(13)12-9/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyKVYZVWXDFXLMJI-UHFFFAOYSA-N
XLogP0.13
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate?
The IUPAC name of methyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate (CID 3243665) is methyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate.
What is the SMILES notation for methyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate?
The canonical SMILES for methyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate is COC(=O)CS(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of methyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate?
The InChIKey is KVYZVWXDFXLMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5S/c1-17-11(14)6-18(15,16)8-2-3-9-7(4-8)5-10(13)12-9/h2-4H,5-6H2,1H3,(H,12,13).
What are the key properties of methyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate?
methyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate has a molecular weight of 269.28 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetate is sourced from PubChem (CID 3243665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).