5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide

C19H13BrN4O4S — CID 1293262

IUPAC5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc(Br)o1
InChIInChI=1S/C19H13BrN4O4S/c20-17-10-9-16(28-17)19(25)22-12-5-7-13(8-6-12)29(26,27)24-18-11-21-14-3-1-2-4-15(14)23-18/h1-11H,(H,22,25)(H,23,24)
InChIKeyWGZASVGGEZKLCY-UHFFFAOYSA-N
MW473.31 g/mol
LogP4.04
Rot. Bonds5

About 5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide

5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 1293262) has the molecular formula C19H13BrN4O4S and a molecular weight of 473.31 g/mol. Its IUPAC name is 5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID1293262
Molecular FormulaC19H13BrN4O4S
Molecular Weight473.31 g/mol
Exact Mass471.98
IUPAC Name5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc(Br)o1
InChIInChI=1S/C19H13BrN4O4S/c20-17-10-9-16(28-17)19(25)22-12-5-7-13(8-6-12)29(26,27)24-18-11-21-14-3-1-2-4-15(14)23-18/h1-11H,(H,22,25)(H,23,24)
InChIKeyWGZASVGGEZKLCY-UHFFFAOYSA-N
XLogP4.04
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.31
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (CID 1293262) is 5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is WGZASVGGEZKLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O4S/c20-17-10-9-16(28-17)19(25)22-12-5-7-13(8-6-12)29(26,27)24-18-11-21-14-3-1-2-4-15(14)23-18/h1-11H,(H,22,25)(H,23,24).
What are the key properties of 5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 473.31 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1293262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).