N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide

C24H21N3O5S — CID 167808169

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide
SMILESCc1ccc2ccccc2c1S(=O)(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H21N3O5S/c1-14-9-10-15-5-2-3-6-16(15)22(14)33(31,32)26-19-8-4-7-17-18(19)13-27(24(17)30)20-11-12-21(28)25-23(20)29/h2-10,20,26H,11-13H2,1H3,(H,25,28,29)
InChIKeyQWXLCAAUPCDZRA-UHFFFAOYSA-N
MW463.52 g/mol
LogP2.71
Rot. Bonds4

About N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide (PubChem CID 167808169) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide
PubChem CID167808169
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide
SMILESCc1ccc2ccccc2c1S(=O)(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H21N3O5S/c1-14-9-10-15-5-2-3-6-16(15)22(14)33(31,32)26-19-8-4-7-17-18(19)13-27(24(17)30)20-11-12-21(28)25-23(20)29/h2-10,20,26H,11-13H2,1H3,(H,25,28,29)
InChIKeyQWXLCAAUPCDZRA-UHFFFAOYSA-N
XLogP2.71
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-7-methyl-1-benzothiophene-2-sulfonamide
CID 166425625
4-tert-butyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]benzenesulfonamide
CID 167808346
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 167985763
3-[7-(2-chloroethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 142407873
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-ethyl-1,3-benzoxazole-5-sulfonamide
CID 167828554
3-[3-oxo-7-(1-sulfanylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138627200
3-[7-[(2-methylphenyl)methylsulfanyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155562885
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxyacetamide
CID 155292309
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-N-methylacetamide
CID 171491512
3-[3-oxo-7-(2-piperazin-1-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155292529
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid
CID 153375812

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide (CID 167808169) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide is Cc1ccc2ccccc2c1S(=O)(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide?
The InChIKey is QWXLCAAUPCDZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-14-9-10-15-5-2-3-6-16(15)22(14)33(31,32)26-19-8-4-7-17-18(19)13-27(24(17)30)20-11-12-21(28)25-23(20)29/h2-10,20,26H,11-13H2,1H3,(H,25,28,29).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide has a molecular weight of 463.52 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 167808169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).