N-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide

C17H16N4O3S — CID 4881936

IUPACN-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc3nccnc3c2)c1
InChIInChI=1S/C17H16N4O3S/c1-21(2)25(23,24)14-5-3-4-13(11-14)20-17(22)12-6-7-15-16(10-12)19-9-8-18-15/h3-11H,1-2H3,(H,20,22)
InChIKeyCRRRQFBTBIOYAF-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.13
Rot. Bonds4

About N-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide

N-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide (PubChem CID 4881936) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide
PubChem CID4881936
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc3nccnc3c2)c1
InChIInChI=1S/C17H16N4O3S/c1-21(2)25(23,24)14-5-3-4-13(11-14)20-17(22)12-6-7-15-16(10-12)19-9-8-18-15/h3-11H,1-2H3,(H,20,22)
InChIKeyCRRRQFBTBIOYAF-UHFFFAOYSA-N
XLogP2.13
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide 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-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide (CID 4881936) is N-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc3nccnc3c2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide?
The InChIKey is CRRRQFBTBIOYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-21(2)25(23,24)14-5-3-4-13(11-14)20-17(22)12-6-7-15-16(10-12)19-9-8-18-15/h3-11H,1-2H3,(H,20,22).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide?
N-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 4881936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).