N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide

C₁₂H₁₄N₄O₃S — CID 74240949

About N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide

N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide (PubChem CID 74240949) has the molecular formula C₁₂H₁₄N₄O₃S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
• PubChem CID: 74240949
• Molecular Formula: C₁₂H₁₄N₄O₃S
• Molecular Weight: 294.34 g/mol
• Exact Mass: 294.08
• IUPAC Name: N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
• SMILES: CS(=O)(=O)NCCNC(=O)c1cccc2nccnc12
• InChI: InChI=1S/C12H14N4O3S/c1-20(18,19)16-8-7-15-12(17)9-3-2-4-10-11(9)14-6-5-13-10/h2-6,16H,7-8H2,1H3,(H,15,17)
• InChIKey: LBXCOIFDMCUEAE-UHFFFAOYSA-N
• XLogP: -0.09
• TPSA: 101.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.34
LogP ≤ 5	-0.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide?

The IUPAC name of N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide (CID 74240949) is N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide.

What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide?

The canonical SMILES for N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide is CS(=O)(=O)NCCNC(=O)c1cccc2nccnc12.

What is the InChIKey of N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide?

The InChIKey is LBXCOIFDMCUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-20(18,19)16-8-7-15-12(17)9-3-2-4-10-11(9)14-6-5-13-10/h2-6,16H,7-8H2,1H3,(H,15,17).

What are the key properties of N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide?

N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide has a molecular weight of 294.34 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 74240949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 74240949 — identifiers, structure, computed properties (public domain)

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