N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide

C19H14N6O3S — CID 53382181

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C19H14N6O3S/c26-18(17-12-22-15-4-1-2-5-16(15)24-17)23-13-6-8-14(9-7-13)29(27,28)25-19-20-10-3-11-21-19/h1-12H,(H,23,26)(H,20,21,25)
InChIKeyBDPGXPQMBHLTDK-UHFFFAOYSA-N
MW406.43 g/mol
LogP2.47
Rot. Bonds5

About N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide (PubChem CID 53382181) has the molecular formula C19H14N6O3S and a molecular weight of 406.43 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide
PubChem CID53382181
Molecular FormulaC19H14N6O3S
Molecular Weight406.43 g/mol
Exact Mass406.08
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C19H14N6O3S/c26-18(17-12-22-15-4-1-2-5-16(15)24-17)23-13-6-8-14(9-7-13)29(27,28)25-19-20-10-3-11-21-19/h1-12H,(H,23,26)(H,20,21,25)
InChIKeyBDPGXPQMBHLTDK-UHFFFAOYSA-N
XLogP2.47
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 1179236
2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
N-(4-ethoxyphenyl)quinoxaline-2-carboxamide
CID 2738538
2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684
4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 4671821
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide
CID 2121261
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 108791703
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-3-carboxamide
CID 674488
2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 92675622

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide (CID 53382181) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cnc2ccccc2n1.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide?
The InChIKey is BDPGXPQMBHLTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O3S/c26-18(17-12-22-15-4-1-2-5-16(15)24-17)23-13-6-8-14(9-7-13)29(27,28)25-19-20-10-3-11-21-19/h1-12H,(H,23,26)(H,20,21,25).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 53382181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).