N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline

C44H46BrN9O14S4 — CID 159352229

About N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline

N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline (PubChem CID 159352229) has the molecular formula C44H46BrN9O14S4 and a molecular weight of 1133.07 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-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline.

Molecular Properties

• Compound Name: N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline
• PubChem CID: 159352229
• Molecular Formula: C44H46BrN9O14S4
• Molecular Weight: 1133.07 g/mol
• Exact Mass: 1131.12
• IUPAC Name: N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline
• SMILES: CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(Br)cnc2N)cc1.CCS(=O)(=O)c1cccc(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)c1.CCS(=O)(=O)c1cccc(N(O)O)c1
• InChI: InChI=1S/C22H22N4O6S2.C14H13BrN4O4S.C8H11NO4S/c1-3-33(29,30)18-6-4-5-16(12-18)19-13-24-22(23)21(25-19)20(28)11-15-7-9-17(10-8-15)34(31,32)26-14(2)27;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;1-2-14(12,13)8-5-3-4-7(6-8)9(10)11/h4-10,12-13H,3,11H2,1-2H3,(H2,23,24)(H,26,27);2-5,7H,6H2,1H3,(H2,16,17)(H,19,20);3-6,10-11H,2H2,1H3
• InChIKey: LHLVRORMYCLIJD-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 376.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1133.07
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', '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-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline?

The IUPAC name of N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline (CID 159352229) is N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline.

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-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline?

The canonical SMILES for N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline is CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(Br)cnc2N)cc1.CCS(=O)(=O)c1cccc(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)c1.CCS(=O)(=O)c1cccc(N(O)O)c1.

What is the InChIKey of N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline?

The InChIKey is LHLVRORMYCLIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6S2.C14H13BrN4O4S.C8H11NO4S/c1-3-33(29,30)18-6-4-5-16(12-18)19-13-24-22(23)21(25-19)20(28)11-15-7-9-17(10-8-15)34(31,32)26-14(2)27;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;1-2-14(12,13)8-5-3-4-7(6-8)9(10)11/h4-10,12-13H,3,11H2,1-2H3,(H2,23,24)(H,26,27);2-5,7H,6H2,1H3,(H2,16,17)(H,19,20);3-6,10-11H,2H2,1H3.

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-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline?

N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline has a molecular weight of 1133.07 g/mol, XLogP of 3.91, 16 rotatable bonds, 6 hydrogen bond donors, and 21 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-(3-ethylsulfonylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;3-ethylsulfonyl-N,N-dihydroxyaniline is sourced from PubChem (CID 159352229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).