N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide

C12H14N2O5S — CID 67455194

IUPACN-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H14N2O5S/c1-2-20(17,18)13-7-8-19-14-11(15)9-5-3-4-6-10(9)12(14)16/h3-6,13H,2,7-8H2,1H3
InChIKeyGZCHEVXYDGQDCP-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.15
Rot. Bonds6

About N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide

N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide (PubChem CID 67455194) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide
PubChem CID67455194
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H14N2O5S/c1-2-20(17,18)13-7-8-19-14-11(15)9-5-3-4-6-10(9)12(14)16/h3-6,13H,2,7-8H2,1H3
InChIKeyGZCHEVXYDGQDCP-UHFFFAOYSA-N
XLogP0.15
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide (CID 67455194) is N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide is CCS(=O)(=O)NCCON1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide?
The InChIKey is GZCHEVXYDGQDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-2-20(17,18)13-7-8-19-14-11(15)9-5-3-4-6-10(9)12(14)16/h3-6,13H,2,7-8H2,1H3.
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide?
N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide has a molecular weight of 298.32 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide is sourced from PubChem (CID 67455194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).