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

C21H15FN4O3S — CID 1001751

IUPAC4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H15FN4O3S/c22-15-7-5-14(6-8-15)21(27)24-16-9-11-17(12-10-16)30(28,29)26-20-13-23-18-3-1-2-4-19(18)25-20/h1-13H,(H,24,27)(H,25,26)
InChIKeyBENNFCUCAJUHSD-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.82
Rot. Bonds5

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

4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1001751) has the molecular formula C21H15FN4O3S and a molecular weight of 422.44 g/mol. Its IUPAC name is 4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1001751
Molecular FormulaC21H15FN4O3S
Molecular Weight422.44 g/mol
Exact Mass422.08
IUPAC Name4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H15FN4O3S/c22-15-7-5-14(6-8-15)21(27)24-16-9-11-17(12-10-16)30(28,29)26-20-13-23-18-3-1-2-4-19(18)25-20/h1-13H,(H,24,27)(H,25,26)
InChIKeyBENNFCUCAJUHSD-UHFFFAOYSA-N
XLogP3.82
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide (CID 1001751) is 4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is BENNFCUCAJUHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O3S/c22-15-7-5-14(6-8-15)21(27)24-16-9-11-17(12-10-16)30(28,29)26-20-13-23-18-3-1-2-4-19(18)25-20/h1-13H,(H,24,27)(H,25,26).
What are the key properties of 4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 422.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1001751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).