5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide

C19H15N5O5S — CID 166426826

About 5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide

5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide (PubChem CID 166426826) has the molecular formula C19H15N5O5S and a molecular weight of 425.43 g/mol. Its IUPAC name is 5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide
• PubChem CID: 166426826
• Molecular Formula: C19H15N5O5S
• Molecular Weight: 425.43 g/mol
• Exact Mass: 425.08
• IUPAC Name: 5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide
• SMILES: N#Cc1cncc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c1
• InChI: InChI=1S/C19H15N5O5S/c20-7-11-5-14(9-21-8-11)30(28,29)23-13-2-1-12-10-24(19(27)15(12)6-13)16-3-4-17(25)22-18(16)26/h1-2,5-6,8-9,16,23H,3-4,10H2,(H,22,25,26)
• InChIKey: PSFRFWDGPOGDPK-UHFFFAOYSA-N
• XLogP: 0.52
• TPSA: 149.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.43
LogP ≤ 5	0.52
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 5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide?

The IUPAC name of 5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide (CID 166426826) is 5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide?

The canonical SMILES for 5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide is N#Cc1cncc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c1.

What is the InChIKey of 5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide?

The InChIKey is PSFRFWDGPOGDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O5S/c20-7-11-5-14(9-21-8-11)30(28,29)23-13-2-1-12-10-24(19(27)15(12)6-13)16-3-4-17(25)22-18(16)26/h1-2,5-6,8-9,16,23H,3-4,10H2,(H,22,25,26).

What are the key properties of 5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide?

5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide has a molecular weight of 425.43 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 166426826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).