3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide

C11H12N2O4S — CID 10400827

IUPAC3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H12N2O4S/c12-18(16,17)7-3-6-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2,(H2,12,16,17)
InChIKeyWKRSAGZLXVSWMX-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.04
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide

3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide (PubChem CID 10400827) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide
PubChem CID10400827
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H12N2O4S/c12-18(16,17)7-3-6-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2,(H2,12,16,17)
InChIKeyWKRSAGZLXVSWMX-UHFFFAOYSA-N
XLogP-0.04
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide (CID 10400827) is 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide is NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide?
The InChIKey is WKRSAGZLXVSWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c12-18(16,17)7-3-6-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2,(H2,12,16,17).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide?
3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide has a molecular weight of 268.29 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 10400827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).