4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide

C21H18N2O4S — CID 2465531

IUPAC4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H18N2O4S/c22-28(26,27)19-12-6-15(7-13-19)14-23-21(25)18-10-8-17(9-11-18)20(24)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,25)(H2,22,26,27)
InChIKeyXZMCQLLUUHASKW-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.49
Rot. Bonds6

About 4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide

4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 2465531) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is 4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID2465531
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H18N2O4S/c22-28(26,27)19-12-6-15(7-13-19)14-23-21(25)18-10-8-17(9-11-18)20(24)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,25)(H2,22,26,27)
InChIKeyXZMCQLLUUHASKW-UHFFFAOYSA-N
XLogP2.49
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 2465531) is 4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is XZMCQLLUUHASKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c22-28(26,27)19-12-6-15(7-13-19)14-23-21(25)18-10-8-17(9-11-18)20(24)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,25)(H2,22,26,27).
What are the key properties of 4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 394.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 2465531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).