N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C46H46BBrCl2N8O10S2 — CID 157305989

About N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 157305989) has the molecular formula C46H46BBrCl2N8O10S2 and a molecular weight of 1096.68 g/mol. Its IUPAC name is N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 157305989
• Molecular Formula: C46H46BBrCl2N8O10S2
• Molecular Weight: 1096.68 g/mol
• Exact Mass: 1094.14
• IUPAC Name: N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(Cl)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(Br)cnc2N)cc1.CC1(C)OB(c2ccc(Cl)cc2)OC1(C)C
• InChI: InChI=1S/C20H17ClN4O4S.C14H13BrN4O4S.C12H16BClO2/c1-12(26)25-30(28,29)16-8-2-13(3-9-16)10-18(27)19-20(22)23-11-17(24-19)14-4-6-15(21)7-5-14;1-8(20)19-24(22,23)10-4-2-9(3-5-10)6-11(21)13-14(16)17-7-12(15)18-13;1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h2-9,11H,10H2,1H3,(H2,22,23)(H,25,26);2-5,7H,6H2,1H3,(H2,16,17)(H,19,20);5-8H,1-4H3
• InChIKey: BCMAHKIRSPJHDD-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 282.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1096.68
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 157305989) is N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(Cl)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(Br)cnc2N)cc1.CC1(C)OB(c2ccc(Cl)cc2)OC1(C)C.

What is the InChIKey of N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is BCMAHKIRSPJHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O4S.C14H13BrN4O4S.C12H16BClO2/c1-12(26)25-30(28,29)16-8-2-13(3-9-16)10-18(27)19-20(22)23-11-17(24-19)14-4-6-15(21)7-5-14;1-8(20)19-24(22,23)10-4-2-9(3-5-10)6-11(21)13-14(16)17-7-12(15)18-13;1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h2-9,11H,10H2,1H3,(H2,22,23)(H,25,26);2-5,7H,6H2,1H3,(H2,16,17)(H,19,20);5-8H,1-4H3.

What are the key properties of N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1096.68 g/mol, XLogP of 6.34, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 157305989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).