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

C22H26N4O3S — CID 21186246

IUPAC2-[4-(2,2-dimethylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C22H26N4O3S/c1-15-14-24-20(21(25-15)29-5)26-30(27,28)18-7-6-12-23-19(18)17-10-8-16(9-11-17)13-22(2,3)4/h6-12,14H,13H2,1-5H3,(H,24,26)
InChIKeyCQVRFHLPZQDEGL-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.25
Rot. Bonds6

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

2-[4-(2,2-dimethylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide (PubChem CID 21186246) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
PubChem CID21186246
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name2-[4-(2,2-dimethylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C22H26N4O3S/c1-15-14-24-20(21(25-15)29-5)26-30(27,28)18-7-6-12-23-19(18)17-10-8-16(9-11-17)13-22(2,3)4/h6-12,14H,13H2,1-5H3,(H,24,26)
InChIKeyCQVRFHLPZQDEGL-UHFFFAOYSA-N
XLogP4.25
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-[4-(2,2-dimethylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide (CID 21186246) is 2-[4-(2,2-dimethylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-[4-(2,2-dimethylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-[4-(2,2-dimethylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide is COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(CC(C)(C)C)cc1.
What is the InChIKey of 2-[4-(2,2-dimethylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
The InChIKey is CQVRFHLPZQDEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-15-14-24-20(21(25-15)29-5)26-30(27,28)18-7-6-12-23-19(18)17-10-8-16(9-11-17)13-22(2,3)4/h6-12,14H,13H2,1-5H3,(H,24,26).
What are the key properties of 2-[4-(2,2-dimethylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
2-[4-(2,2-dimethylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide has a molecular weight of 426.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 21186246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).