2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione

C21H24N2O4S — CID 164666030

IUPAC2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione
SMILESCN(C)[C@H](CCN1C(=O)c2ccccc2C1=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N2O4S/c1-22(2)16(13-15-28(26,27)17-8-4-3-5-9-17)12-14-23-20(24)18-10-6-7-11-19(18)21(23)25/h3-11,16H,12-15H2,1-2H3/t16-/m1/s1
InChIKeyJLNGKFHRLIZLIQ-MRXNPFEDSA-N
MW400.50 g/mol
LogP2.47
Rot. Bonds8

About 2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione

2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione (PubChem CID 164666030) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione
PubChem CID164666030
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione
SMILESCN(C)[C@H](CCN1C(=O)c2ccccc2C1=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N2O4S/c1-22(2)16(13-15-28(26,27)17-8-4-3-5-9-17)12-14-23-20(24)18-10-6-7-11-19(18)21(23)25/h3-11,16H,12-15H2,1-2H3/t16-/m1/s1
InChIKeyJLNGKFHRLIZLIQ-MRXNPFEDSA-N
XLogP2.47
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide
CID 19261658
4-(1,3-dioxoisoindol-2-yl)butan-2-yl methanesulfonate
CID 138695385
2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione
CID 18088905
2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
2-[4-(4-nitrophenyl)sulfonylbutyl]isoindole-1,3-dione
CID 69181676
[(E)-7-(benzenesulfonyl)-1-(1,3-dioxoisoindol-2-yl)hept-5-en-3-yl] benzoate
CID 163359653
2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione
CID 821234
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
4-(1,3-dioxoisoindol-2-yl)-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
CID 18682832
N-[2-(benzenesulfonyl)ethyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
CID 55734054
10-(1,3-dioxoisoindol-2-yl)decyl-triphenylphosphanium;methanesulfonate
CID 89429070
5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide
CID 138018346

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione (CID 164666030) is 2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione is CN(C)[C@H](CCN1C(=O)c2ccccc2C1=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione?
The InChIKey is JLNGKFHRLIZLIQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-22(2)16(13-15-28(26,27)17-8-4-3-5-9-17)12-14-23-20(24)18-10-6-7-11-19(18)21(23)25/h3-11,16H,12-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione?
2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione has a molecular weight of 400.50 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5-(benzenesulfonyl)-3-(dimethylamino)pentyl]isoindole-1,3-dione is sourced from PubChem (CID 164666030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).