N-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide

C17H16N4O3S — CID 2578836

IUPACN-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C17H16N4O3S/c18-25(23,24)14-4-1-12(2-5-14)7-8-21-17(22)13-3-6-15-16(11-13)20-10-9-19-15/h1-6,9-11H,7-8H2,(H,21,22)(H2,18,23,24)
InChIKeyKRUUMMGRGVVQOX-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.25
Rot. Bonds5

About N-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide

N-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide (PubChem CID 2578836) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide
PubChem CID2578836
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C17H16N4O3S/c18-25(23,24)14-4-1-12(2-5-14)7-8-21-17(22)13-3-6-15-16(11-13)20-10-9-19-15/h1-6,9-11H,7-8H2,(H,21,22)(H2,18,23,24)
InChIKeyKRUUMMGRGVVQOX-UHFFFAOYSA-N
XLogP1.25
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide (CID 2578836) is N-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide?
The InChIKey is KRUUMMGRGVVQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c18-25(23,24)14-4-1-12(2-5-14)7-8-21-17(22)13-3-6-15-16(11-13)20-10-9-19-15/h1-6,9-11H,7-8H2,(H,21,22)(H2,18,23,24).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 2578836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).