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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Related Compounds

4-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-benzenesulfonamide
CID 3586494
N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1192817
N-[(1-Acetylpiperidin-4-Yl)methyl]-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 90654872
N-Cycloheptyl-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 105539837
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 15944463
4-[(2E)-2-[2-(3-fluorophenyl)-2-oxoethylidene]-5-oxopyrrolidin-1-yl]benzenesulfonamide
CID 156010649
2-(2-methoxyethyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-3-oxoisoindoline-4-carboxamide
CID 6619553
4-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
CID 738960
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-isopropenylphenyl)propanamide
CID 1003709
1-Methyl-2-oxo-1,2-dihydro-benzo[cd]indole-6-sulfonic acid phenethyl-amide
CID 1094909

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).