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

C21H24N4O4S — CID 21186338

IUPAC2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(CC(C)(C)O)cc1
InChIInChI=1S/C21H24N4O4S/c1-14-13-23-19(20(24-14)29-4)25-30(27,28)17-6-5-11-22-18(17)16-9-7-15(8-10-16)12-21(2,3)26/h5-11,13,26H,12H2,1-4H3,(H,23,25)
InChIKeyOGAJRBWWUOYEFN-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.97
Rot. Bonds7

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

2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide (PubChem CID 21186338) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
PubChem CID21186338
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(CC(C)(C)O)cc1
InChIInChI=1S/C21H24N4O4S/c1-14-13-23-19(20(24-14)29-4)25-30(27,28)17-6-5-11-22-18(17)16-9-7-15(8-10-16)12-21(2,3)26/h5-11,13,26H,12H2,1-4H3,(H,23,25)
InChIKeyOGAJRBWWUOYEFN-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide (CID 21186338) is 2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide is COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(CC(C)(C)O)cc1.
What is the InChIKey of 2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
The InChIKey is OGAJRBWWUOYEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-14-13-23-19(20(24-14)29-4)25-30(27,28)17-6-5-11-22-18(17)16-9-7-15(8-10-16)12-21(2,3)26/h5-11,13,26H,12H2,1-4H3,(H,23,25).
What are the key properties of 2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
2-[4-(2-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 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 21186338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).