6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine

C13H13Cl2N3O4S2 — CID 22341129

IUPAC6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine
SMILESCS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H13Cl2N3O4S2/c1-23(19,20)13-12(16-7-2-3-24(21,22)6-7)17-10-4-8(14)9(15)5-11(10)18-13/h4-5,7H,2-3,6H2,1H3,(H,16,17)
InChIKeyWMPGWGFKQWRGHO-UHFFFAOYSA-N
MW410.30 g/mol
LogP1.94
Rot. Bonds3

About 6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine

6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine (PubChem CID 22341129) has the molecular formula C13H13Cl2N3O4S2 and a molecular weight of 410.30 g/mol. Its IUPAC name is 6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine.

Molecular Properties

Compound Name6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine
PubChem CID22341129
Molecular FormulaC13H13Cl2N3O4S2
Molecular Weight410.30 g/mol
Exact Mass408.97
IUPAC Name6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine
SMILESCS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H13Cl2N3O4S2/c1-23(19,20)13-12(16-7-2-3-24(21,22)6-7)17-10-4-8(14)9(15)5-11(10)18-13/h4-5,7H,2-3,6H2,1H3,(H,16,17)
InChIKeyWMPGWGFKQWRGHO-UHFFFAOYSA-N
XLogP1.94
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-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 6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine?
The IUPAC name of 6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine (CID 22341129) is 6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine.
What is the SMILES notation for 6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine?
The canonical SMILES for 6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine is CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1NC1CCS(=O)(=O)C1.
What is the InChIKey of 6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine?
The InChIKey is WMPGWGFKQWRGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O4S2/c1-23(19,20)13-12(16-7-2-3-24(21,22)6-7)17-10-4-8(14)9(15)5-11(10)18-13/h4-5,7H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine?
6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine has a molecular weight of 410.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-(1,1-dioxothiolan-3-yl)-3-methylsulfonylquinoxalin-2-amine is sourced from PubChem (CID 22341129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).