2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide

C21H24N4O3S — CID 21186358

IUPAC2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H24N4O3S/c1-14-13-23-19(20(24-14)28-5)25-29(26,27)17-7-6-12-22-18(17)15-8-10-16(11-9-15)21(2,3)4/h6-13H,1-5H3,(H,23,25)
InChIKeyVXKWVVMXHKJKCV-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.95
Rot. Bonds5

About 2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide

2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide (PubChem CID 21186358) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
PubChem CID21186358
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H24N4O3S/c1-14-13-23-19(20(24-14)28-5)25-29(26,27)17-7-6-12-22-18(17)15-8-10-16(11-9-15)21(2,3)4/h6-13H,1-5H3,(H,23,25)
InChIKeyVXKWVVMXHKJKCV-UHFFFAOYSA-N
XLogP3.95
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide (CID 21186358) is 2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide is COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
The InChIKey is VXKWVVMXHKJKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-13-23-19(20(24-14)28-5)25-29(26,27)17-7-6-12-22-18(17)15-8-10-16(11-9-15)21(2,3)4/h6-13H,1-5H3,(H,23,25).
What are the key properties of 2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide?
2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide has a molecular weight of 412.52 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 21186358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).