N-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide

C20H21BrN4O3S — CID 21186217

IUPACN-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide
SMILESCOc1nc(Br)cnc1NS(=O)(=O)c1cccnc1-c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H21BrN4O3S/c1-13(2)11-14-6-8-15(9-7-14)18-16(5-4-10-22-18)29(26,27)25-19-20(28-3)24-17(21)12-23-19/h4-10,12-13H,11H2,1-3H3,(H,23,25)
InChIKeyYRJMWZOAZLVPAN-UHFFFAOYSA-N
MW477.38 g/mol
LogP4.31
Rot. Bonds7

About N-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide

N-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide (PubChem CID 21186217) has the molecular formula C20H21BrN4O3S and a molecular weight of 477.38 g/mol. Its IUPAC name is N-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide
PubChem CID21186217
Molecular FormulaC20H21BrN4O3S
Molecular Weight477.38 g/mol
Exact Mass476.05
IUPAC NameN-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide
SMILESCOc1nc(Br)cnc1NS(=O)(=O)c1cccnc1-c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H21BrN4O3S/c1-13(2)11-14-6-8-15(9-7-14)18-16(5-4-10-22-18)29(26,27)25-19-20(28-3)24-17(21)12-23-19/h4-10,12-13H,11H2,1-3H3,(H,23,25)
InChIKeyYRJMWZOAZLVPAN-UHFFFAOYSA-N
XLogP4.31
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide?
The IUPAC name of N-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide (CID 21186217) is N-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide is COc1nc(Br)cnc1NS(=O)(=O)c1cccnc1-c1ccc(CC(C)C)cc1.
What is the InChIKey of N-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide?
The InChIKey is YRJMWZOAZLVPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O3S/c1-13(2)11-14-6-8-15(9-7-14)18-16(5-4-10-22-18)29(26,27)25-19-20(28-3)24-17(21)12-23-19/h4-10,12-13H,11H2,1-3H3,(H,23,25).
What are the key properties of N-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide?
N-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide has a molecular weight of 477.38 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methoxypyrazin-2-yl)-2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 21186217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).