4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide

C21H24N4O4S — CID 67557033

About 4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide

4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide (PubChem CID 67557033) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
• PubChem CID: 67557033
• Molecular Formula: C21H24N4O4S
• Molecular Weight: 428.51 g/mol
• Exact Mass: 428.15
• IUPAC Name: 4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
• SMILES: COc1nc(C)cnc1NS(=O)(=O)c1cnccc1-c1ccccc1C(O)C(C)C
• InChI: InChI=1S/C21H24N4O4S/c1-13(2)19(26)17-8-6-5-7-15(17)16-9-10-22-12-18(16)30(27,28)25-20-21(29-4)24-14(3)11-23-20/h5-13,19,26H,1-4H3,(H,23,25)
• InChIKey: OJCOAZSUDGEUSR-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 114.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.51
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?

The IUPAC name of 4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide (CID 67557033) is 4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide.

What is the SMILES notation for 4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?

The canonical SMILES for 4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide is COc1nc(C)cnc1NS(=O)(=O)c1cnccc1-c1ccccc1C(O)C(C)C.

What is the InChIKey of 4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?

The InChIKey is OJCOAZSUDGEUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-13(2)19(26)17-8-6-5-7-15(17)16-9-10-22-12-18(16)30(27,28)25-20-21(29-4)24-14(3)11-23-20/h5-13,19,26H,1-4H3,(H,23,25).

What are the key properties of 4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?

4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide has a molecular weight of 428.51 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 67557033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).