N-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine

C13H15Cl2N3O2S — CID 22341045

IUPACN-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine
SMILESCCC(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI=1S/C13H15Cl2N3O2S/c1-4-7(2)16-12-13(21(3,19)20)18-11-6-9(15)8(14)5-10(11)17-12/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyKUSYVEXRVZWVBV-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.55
Rot. Bonds4

About N-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine

N-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine (PubChem CID 22341045) has the molecular formula C13H15Cl2N3O2S and a molecular weight of 348.26 g/mol. Its IUPAC name is N-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine
PubChem CID22341045
Molecular FormulaC13H15Cl2N3O2S
Molecular Weight348.26 g/mol
Exact Mass347.03
IUPAC NameN-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine
SMILESCCC(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI=1S/C13H15Cl2N3O2S/c1-4-7(2)16-12-13(21(3,19)20)18-11-6-9(15)8(14)5-10(11)17-12/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyKUSYVEXRVZWVBV-UHFFFAOYSA-N
XLogP3.55
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine?
The IUPAC name of N-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine (CID 22341045) is N-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine.
What is the SMILES notation for N-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine?
The canonical SMILES for N-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine is CCC(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine?
The InChIKey is KUSYVEXRVZWVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2S/c1-4-7(2)16-12-13(21(3,19)20)18-11-6-9(15)8(14)5-10(11)17-12/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of N-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine?
N-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine has a molecular weight of 348.26 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine is sourced from PubChem (CID 22341045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).