4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide

C26H30N4O6S — CID 156501020

About 4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide

4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide (PubChem CID 156501020) has the molecular formula C26H30N4O6S and a molecular weight of 526.62 g/mol. Its IUPAC name is 4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide
• PubChem CID: 156501020
• Molecular Formula: C26H30N4O6S
• Molecular Weight: 526.62 g/mol
• Exact Mass: 526.19
• IUPAC Name: 4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide
• SMILES: NS(=O)(=O)c1ccc(CN2CCCC[C@H]2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1
• InChI: InChI=1S/C26H30N4O6S/c27-37(34,35)21-7-4-17(5-8-21)14-29-12-2-1-3-19(29)16-36-20-6-9-22-18(13-20)15-30(26(22)33)23-10-11-24(31)28-25(23)32/h4-9,13,19,23H,1-3,10-12,14-16H2,(H2,27,34,35)(H,28,31,32)/t19-,23?/m0/s1
• InChIKey: WUCZPZHGVQPYJG-HSTJUUNISA-N
• XLogP: 1.53
• TPSA: 139.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.62
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide?

The IUPAC name of 4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide (CID 156501020) is 4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide.

What is the SMILES notation for 4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide?

The canonical SMILES for 4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CN2CCCC[C@H]2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1.

What is the InChIKey of 4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide?

The InChIKey is WUCZPZHGVQPYJG-HSTJUUNISA-N. The full InChI is InChI=1S/C26H30N4O6S/c27-37(34,35)21-7-4-17(5-8-21)14-29-12-2-1-3-19(29)16-36-20-6-9-22-18(13-20)15-30(26(22)33)23-10-11-24(31)28-25(23)32/h4-9,13,19,23H,1-3,10-12,14-16H2,(H2,27,34,35)(H,28,31,32)/t19-,23?/m0/s1.

What are the key properties of 4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide?

4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide has a molecular weight of 526.62 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 156501020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).