2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide

C23H23N3O5S — CID 167615591

IUPAC2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
SMILESC=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4c(C)cc(C)cc4C)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H23N3O5S/c1-12-9-13(2)20(14(3)10-12)32(30,31)25-16-6-7-17-18(11-16)23(29)26(22(17)28)19-8-5-15(4)24-21(19)27/h6-7,9-11,19,25H,4-5,8H2,1-3H3,(H,24,27)
InChIKeyJFPKJMOAWAGEBZ-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.80
Rot. Bonds4

About 2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide

2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide (PubChem CID 167615591) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
PubChem CID167615591
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
SMILESC=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4c(C)cc(C)cc4C)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H23N3O5S/c1-12-9-13(2)20(14(3)10-12)32(30,31)25-16-6-7-17-18(11-16)23(29)26(22(17)28)19-8-5-15(4)24-21(19)27/h6-7,9-11,19,25H,4-5,8H2,1-3H3,(H,24,27)
InChIKeyJFPKJMOAWAGEBZ-UHFFFAOYSA-N
XLogP2.80
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide
CID 167590231
5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 142596962
5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 118527125
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-methyl-2-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 166985426
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
CID 167175297
3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
CID 164938543
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(2-oxopropyl)benzenesulfonamide
CID 167557281
N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-phenylbenzenesulfonamide
CID 167591123
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
2-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide
CID 169222741
2-(difluoromethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoro-3-methylbenzenesulfonamide
CID 169222732

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide (CID 167615591) is 2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide is C=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4c(C)cc(C)cc4C)cc3C2=O)C(=O)N1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide?
The InChIKey is JFPKJMOAWAGEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-12-9-13(2)20(14(3)10-12)32(30,31)25-16-6-7-17-18(11-16)23(29)26(22(17)28)19-8-5-15(4)24-21(19)27/h6-7,9-11,19,25H,4-5,8H2,1-3H3,(H,24,27).
What are the key properties of 2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide has a molecular weight of 453.52 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide is sourced from PubChem (CID 167615591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).