2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide

C17H16N2O4S — CID 168517046

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H16N2O4S/c1-2-11-18-24(22,23)15-10-6-5-9-14(15)19-16(20)12-7-3-4-8-13(12)17(19)21/h3-10,18H,2,11H2,1H3
InChIKeyFFHLMHAVEOMVDN-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.18
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide

2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide (PubChem CID 168517046) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide
PubChem CID168517046
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H16N2O4S/c1-2-11-18-24(22,23)15-10-6-5-9-14(15)19-16(20)12-7-3-4-8-13(12)17(19)21/h3-10,18H,2,11H2,1H3
InChIKeyFFHLMHAVEOMVDN-UHFFFAOYSA-N
XLogP2.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.18
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

N-butyl-2-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 168516960
2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide
CID 118599814
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 115300944
2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 168518858
2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-propylbenzenesulfonamide
CID 43599171
2,3-dimethyl-N-propylbenzenesulfonamide
CID 67800223
4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide
CID 110612614
2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide
CID 65110251
2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide
CID 63548795
2-(2-aminoethoxy)-N-propylbenzenesulfonamide
CID 62349526
2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716001

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide (CID 168517046) is 2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide?
The InChIKey is FFHLMHAVEOMVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-2-11-18-24(22,23)15-10-6-5-9-14(15)19-16(20)12-7-3-4-8-13(12)17(19)21/h3-10,18H,2,11H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide?
2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 168517046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).