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

C21H24N4O4S — CID 67557033

IUPAC4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cnccc1-c1ccccc1C(O)C(C)C
InChIInChI=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)
InChIKeyOJCOAZSUDGEUSR-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.35
Rot. Bonds7

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 Name4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
PubChem CID67557033
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cnccc1-c1ccccc1C(O)C(C)C
InChIInChI=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)
InChIKeyOJCOAZSUDGEUSR-UHFFFAOYSA-N
XLogP3.35
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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).