6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine

C11H11Cl2N3O2S — CID 22341144

IUPAC6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine
SMILESCCNc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI=1S/C11H11Cl2N3O2S/c1-3-14-10-11(19(2,17)18)16-9-5-7(13)6(12)4-8(9)15-10/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyBJSMXKUJTAKZDJ-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.77
Rot. Bonds3

About 6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine

6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine (PubChem CID 22341144) has the molecular formula C11H11Cl2N3O2S and a molecular weight of 320.20 g/mol. Its IUPAC name is 6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine.

Molecular Properties

Compound Name6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine
PubChem CID22341144
Molecular FormulaC11H11Cl2N3O2S
Molecular Weight320.20 g/mol
Exact Mass318.99
IUPAC Name6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine
SMILESCCNc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI=1S/C11H11Cl2N3O2S/c1-3-14-10-11(19(2,17)18)16-9-5-7(13)6(12)4-8(9)15-10/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyBJSMXKUJTAKZDJ-UHFFFAOYSA-N
XLogP2.77
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine?
The IUPAC name of 6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine (CID 22341144) is 6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine.
What is the SMILES notation for 6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine?
The canonical SMILES for 6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine is CCNc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O.
What is the InChIKey of 6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine?
The InChIKey is BJSMXKUJTAKZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2S/c1-3-14-10-11(19(2,17)18)16-9-5-7(13)6(12)4-8(9)15-10/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine?
6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine has a molecular weight of 320.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-ethyl-3-methylsulfonylquinoxalin-2-amine is sourced from PubChem (CID 22341144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).