3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide

C23H20N4O5S — CID 1220861

IUPAC3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)c1
InChIInChI=1S/C23H20N4O5S/c1-31-17-11-15(12-18(13-17)32-2)23(28)25-16-7-9-19(10-8-16)33(29,30)27-22-14-24-20-5-3-4-6-21(20)26-22/h3-14H,1-2H3,(H,25,28)(H,26,27)
InChIKeyXINIBZFGCUTTNO-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.70
Rot. Bonds7

About 3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide

3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1220861) has the molecular formula C23H20N4O5S and a molecular weight of 464.50 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1220861
Molecular FormulaC23H20N4O5S
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC Name3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)c1
InChIInChI=1S/C23H20N4O5S/c1-31-17-11-15(12-18(13-17)32-2)23(28)25-16-7-9-19(10-8-16)33(29,30)27-22-14-24-20-5-3-4-6-21(20)26-22/h3-14H,1-2H3,(H,25,28)(H,26,27)
InChIKeyXINIBZFGCUTTNO-UHFFFAOYSA-N
XLogP3.70
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide (CID 1220861) is 3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is XINIBZFGCUTTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5S/c1-31-17-11-15(12-18(13-17)32-2)23(28)25-16-7-9-19(10-8-16)33(29,30)27-22-14-24-20-5-3-4-6-21(20)26-22/h3-14H,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 464.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1220861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).