N-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide

C13H14Cl2N4O3S — CID 20821273

IUPACN-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI=1S/C13H14Cl2N4O3S/c1-7(20)16-3-4-17-12-13(23(2,21)22)19-11-6-9(15)8(14)5-10(11)18-12/h5-6H,3-4H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyJGBFNPODJNUABF-UHFFFAOYSA-N
MW377.25 g/mol
LogP1.89
Rot. Bonds5

About N-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide

N-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide (PubChem CID 20821273) has the molecular formula C13H14Cl2N4O3S and a molecular weight of 377.25 g/mol. Its IUPAC name is N-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide
PubChem CID20821273
Molecular FormulaC13H14Cl2N4O3S
Molecular Weight377.25 g/mol
Exact Mass376.02
IUPAC NameN-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI=1S/C13H14Cl2N4O3S/c1-7(20)16-3-4-17-12-13(23(2,21)22)19-11-6-9(15)8(14)5-10(11)18-12/h5-6H,3-4H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyJGBFNPODJNUABF-UHFFFAOYSA-N
XLogP1.89
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide (CID 20821273) is N-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O.
What is the InChIKey of N-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide?
The InChIKey is JGBFNPODJNUABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O3S/c1-7(20)16-3-4-17-12-13(23(2,21)22)19-11-6-9(15)8(14)5-10(11)18-12/h5-6H,3-4H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide?
N-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide has a molecular weight of 377.25 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 20821273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).