4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide

C22H18N4O4S — CID 2178925

IUPAC4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc1
InChIInChI=1S/C22H18N4O4S/c1-30-17-10-6-15(7-11-17)22(27)24-16-8-12-18(13-9-16)31(28,29)26-21-14-23-19-4-2-3-5-20(19)25-21/h2-14H,1H3,(H,24,27)(H,25,26)
InChIKeyYAGRZJNHVFSXSX-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.69
Rot. Bonds6

About 4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide

4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 2178925) has the molecular formula C22H18N4O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID2178925
Molecular FormulaC22H18N4O4S
Molecular Weight434.48 g/mol
Exact Mass434.10
IUPAC Name4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc1
InChIInChI=1S/C22H18N4O4S/c1-30-17-10-6-15(7-11-17)22(27)24-16-8-12-18(13-9-16)31(28,29)26-21-14-23-19-4-2-3-5-20(19)25-21/h2-14H,1H3,(H,24,27)(H,25,26)
InChIKeyYAGRZJNHVFSXSX-UHFFFAOYSA-N
XLogP3.69
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide (CID 2178925) is 4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is YAGRZJNHVFSXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S/c1-30-17-10-6-15(7-11-17)22(27)24-16-8-12-18(13-9-16)31(28,29)26-21-14-23-19-4-2-3-5-20(19)25-21/h2-14H,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 434.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2178925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).