4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide

C17H16N2O4S — CID 815028

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H16N2O4S/c1-11(2)18-24(22,23)13-9-7-12(8-10-13)19-16(20)14-5-3-4-6-15(14)17(19)21/h3-11,18H,1-2H3
InChIKeyJNZVRVUTOQPQBO-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.17
Rot. Bonds4

About 4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide

4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 815028) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide
PubChem CID815028
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H16N2O4S/c1-11(2)18-24(22,23)13-9-7-12(8-10-13)19-16(20)14-5-3-4-6-15(14)17(19)21/h3-11,18H,1-2H3
InChIKeyJNZVRVUTOQPQBO-UHFFFAOYSA-N
XLogP2.17
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.17
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 4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide (CID 815028) is 4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is JNZVRVUTOQPQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-11(2)18-24(22,23)13-9-7-12(8-10-13)19-16(20)14-5-3-4-6-15(14)17(19)21/h3-11,18H,1-2H3.
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide?
4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 815028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).