N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide

C17H15N5O4S — CID 44586225

IUPACN-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide
SMILESCOc1ccc(-n2nc3c(NS(C)(=O)=O)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C17H15N5O4S/c1-26-12-9-7-11(8-10-12)22-17(23)21-14-6-4-3-5-13(14)18-15(16(21)19-22)20-27(2,24)25/h3-10H,1-2H3,(H,18,20)
InChIKeyHAUVFNFZIRMOAH-UHFFFAOYSA-N
MW385.41 g/mol
LogP1.41
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide

N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide (PubChem CID 44586225) has the molecular formula C17H15N5O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide
PubChem CID44586225
Molecular FormulaC17H15N5O4S
Molecular Weight385.41 g/mol
Exact Mass385.08
IUPAC NameN-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide
SMILESCOc1ccc(-n2nc3c(NS(C)(=O)=O)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C17H15N5O4S/c1-26-12-9-7-11(8-10-12)22-17(23)21-14-6-4-3-5-13(14)18-15(16(21)19-22)20-27(2,24)25/h3-10H,1-2H3,(H,18,20)
InChIKeyHAUVFNFZIRMOAH-UHFFFAOYSA-N
XLogP1.41
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide with MolForge

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Related Compounds

N-(8-aminooctyl)-N'-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butanediamide
CID 57325782
2-(4-Methoxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 10040914
4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one
CID 10709852
1-(4-Methoxy-phenyl)-3-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-urea
CID 10741090
2-(4-Ethoxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 11163042
4-Amino-2-(4-ethoxy-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 11244144
6-Amino-2-(4-methoxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 11267262
4,6-Diamino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 11290216
N-(6-amino-2-(4-methoxyphenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide
CID 11595710
4-Acetamido-2-(4-methoxyphenyl)-1,2-dihydro-1,2,4-triazolo[4,3-a]quinoxalin-1-one
CID 11602711
4-amino-2-(4-methoxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one
CID 11772535
N-(2-(4-methoxyphenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide
CID 44586199

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide (CID 44586225) is N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide is COc1ccc(-n2nc3c(NS(C)(=O)=O)nc4ccccc4n3c2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide?
The InChIKey is HAUVFNFZIRMOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4S/c1-26-12-9-7-11(8-10-12)22-17(23)21-14-6-4-3-5-13(14)18-15(16(21)19-22)20-27(2,24)25/h3-10H,1-2H3,(H,18,20).
What are the key properties of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide?
N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide has a molecular weight of 385.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]methanesulfonamide is sourced from PubChem (CID 44586225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).