methyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate

C16H10Cl2N2O4S — CID 102359579

IUPACmethyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate
SMILESCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H10Cl2N2O4S/c1-24-16(21)14-15(25(22,23)9-5-3-2-4-6-9)20-13-8-11(18)10(17)7-12(13)19-14/h2-8H,1H3
InChIKeyJVQKKKHWDCIJOQ-UHFFFAOYSA-N
MW397.24 g/mol
LogP3.56
Rot. Bonds3

About methyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate

methyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate (PubChem CID 102359579) has the molecular formula C16H10Cl2N2O4S and a molecular weight of 397.24 g/mol. Its IUPAC name is methyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate
PubChem CID102359579
Molecular FormulaC16H10Cl2N2O4S
Molecular Weight397.24 g/mol
Exact Mass395.97
IUPAC Namemethyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate
SMILESCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H10Cl2N2O4S/c1-24-16(21)14-15(25(22,23)9-5-3-2-4-6-9)20-13-8-11(18)10(17)7-12(13)19-14/h2-8H,1H3
InChIKeyJVQKKKHWDCIJOQ-UHFFFAOYSA-N
XLogP3.56
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.24
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate 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 methyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate?
The IUPAC name of methyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate (CID 102359579) is methyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate.
What is the SMILES notation for methyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate?
The canonical SMILES for methyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate is COC(=O)c1nc2cc(Cl)c(Cl)cc2nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate?
The InChIKey is JVQKKKHWDCIJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O4S/c1-24-16(21)14-15(25(22,23)9-5-3-2-4-6-9)20-13-8-11(18)10(17)7-12(13)19-14/h2-8H,1H3.
What are the key properties of methyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate?
methyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate has a molecular weight of 397.24 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzenesulfonyl)-6,7-dichloroquinoxaline-2-carboxylate is sourced from PubChem (CID 102359579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).