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

C52H52BBrN8O10S2 — CID 158744154

About N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-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-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158744154) has the molecular formula C52H52BBrN8O10S2 and a molecular weight of 1103.88 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-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-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-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 158744154
• Molecular Formula: C52H52BBrN8O10S2
• Molecular Weight: 1103.88 g/mol
• Exact Mass: 1102.25
• IUPAC Name: N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc4c(c3)CC=C4)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(Br)cnc2N)cc1.CC1(C)OB(c2ccc3c(c2)CC=C3)OC1(C)C
• InChI: InChI=1S/C23H20N4O4S.C15H19BO2.C14H13BrN4O4S/c1-14(28)27-32(30,31)19-9-5-15(6-10-19)11-21(29)22-23(24)25-13-20(26-22)18-8-7-16-3-2-4-17(16)12-18;1-14(2)15(3,4)18-16(17-14)13-9-8-11-6-5-7-12(11)10-13;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/h2-3,5-10,12-13H,4,11H2,1H3,(H2,24,25)(H,27,28);5-6,8-10H,7H2,1-4H3;2-5,7H,6H2,1H3,(H2,16,17)(H,19,20)
• InChIKey: IMRCFEAKCRVULK-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 282.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1103.88
LogP ≤ 5	6.17
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-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-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-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158744154) is N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-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-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-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-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc4c(c3)CC=C4)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(Br)cnc2N)cc1.CC1(C)OB(c2ccc3c(c2)CC=C3)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-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is IMRCFEAKCRVULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S.C15H19BO2.C14H13BrN4O4S/c1-14(28)27-32(30,31)19-9-5-15(6-10-19)11-21(29)22-23(24)25-13-20(26-22)18-8-7-16-3-2-4-17(16)12-18;1-14(2)15(3,4)18-16(17-14)13-9-8-11-6-5-7-12(11)10-13;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/h2-3,5-10,12-13H,4,11H2,1H3,(H2,24,25)(H,27,28);5-6,8-10H,7H2,1-4H3;2-5,7H,6H2,1H3,(H2,16,17)(H,19,20).

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-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-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-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1103.88 g/mol, XLogP of 6.17, 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-(3H-inden-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;2-(3H-inden-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158744154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).