4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide

C19H16N2O4S — CID 155294818

IUPAC4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H16N2O4S/c1-2-12-20-26(24,25)15-9-7-14(8-10-15)11-13-21-18(22)16-5-3-4-6-17(16)19(21)23/h1,3-10,20H,11-13H2
InChIKeyHMAYPYAQWFIYBE-UHFFFAOYSA-N
MW368.41 g/mol
LogP1.44
Rot. Bonds6

About 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide

4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide (PubChem CID 155294818) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide
PubChem CID155294818
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H16N2O4S/c1-2-12-20-26(24,25)15-9-7-14(8-10-15)11-13-21-18(22)16-5-3-4-6-17(16)19(21)23/h1,3-10,20H,11-13H2
InChIKeyHMAYPYAQWFIYBE-UHFFFAOYSA-N
XLogP1.44
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide (CID 155294818) is 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide is C#CCNS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is HMAYPYAQWFIYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-2-12-20-26(24,25)15-9-7-14(8-10-15)11-13-21-18(22)16-5-3-4-6-17(16)19(21)23/h1,3-10,20H,11-13H2.
What are the key properties of 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide?
4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 368.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 155294818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).