4-fluoro-N-(4-sulfamoylphenyl)benzamide

C13H11FN2O3S — CID 684981

IUPAC4-fluoro-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C13H11FN2O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)20(15,18)19/h1-8H,(H,16,17)(H2,15,18,19)
InChIKeySWJJWJLTFFSLLV-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.73
Rot. Bonds3

About 4-fluoro-N-(4-sulfamoylphenyl)benzamide

4-fluoro-N-(4-sulfamoylphenyl)benzamide (PubChem CID 684981) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-fluoro-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-sulfamoylphenyl)benzamide
PubChem CID684981
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name4-fluoro-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C13H11FN2O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)20(15,18)19/h1-8H,(H,16,17)(H2,15,18,19)
InChIKeySWJJWJLTFFSLLV-UHFFFAOYSA-N
XLogP1.73
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(4-sulfamoylphenyl)benzamide (CID 684981) is 4-fluoro-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is SWJJWJLTFFSLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)20(15,18)19/h1-8H,(H,16,17)(H2,15,18,19).
What are the key properties of 4-fluoro-N-(4-sulfamoylphenyl)benzamide?
4-fluoro-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 294.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 684981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).