N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide

C16H12N2O5S — CID 680996

IUPACN-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H12N2O5S/c1-10(19)17-24(22,23)12-8-6-11(7-9-12)18-15(20)13-4-2-3-5-14(13)16(18)21/h2-9H,1H3,(H,17,19)
InChIKeyDRNHASYHHVRKJL-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.31
Rot. Bonds3

About N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide

N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide (PubChem CID 680996) has the molecular formula C16H12N2O5S and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide
PubChem CID680996
Molecular FormulaC16H12N2O5S
Molecular Weight344.35 g/mol
Exact Mass344.05
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H12N2O5S/c1-10(19)17-24(22,23)12-8-6-11(7-9-12)18-15(20)13-4-2-3-5-14(13)16(18)21/h2-9H,1H3,(H,17,19)
InChIKeyDRNHASYHHVRKJL-UHFFFAOYSA-N
XLogP1.31
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide (CID 680996) is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide?
The InChIKey is DRNHASYHHVRKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5S/c1-10(19)17-24(22,23)12-8-6-11(7-9-12)18-15(20)13-4-2-3-5-14(13)16(18)21/h2-9H,1H3,(H,17,19).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide?
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide has a molecular weight of 344.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide is sourced from PubChem (CID 680996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).