2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide

C21H17FN2O4S — CID 32566324

IUPAC2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C21H17FN2O4S/c22-16-10-8-15(9-11-16)20(25)18-6-1-2-7-19(18)21(26)24-13-14-4-3-5-17(12-14)29(23,27)28/h1-12H,13H2,(H,24,26)(H2,23,27,28)
InChIKeyPOMDVZWSQSQXIZ-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.63
Rot. Bonds6

About 2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide

2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide (PubChem CID 32566324) has the molecular formula C21H17FN2O4S and a molecular weight of 412.44 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide
PubChem CID32566324
Molecular FormulaC21H17FN2O4S
Molecular Weight412.44 g/mol
Exact Mass412.09
IUPAC Name2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C21H17FN2O4S/c22-16-10-8-15(9-11-16)20(25)18-6-1-2-7-19(18)21(26)24-13-14-4-3-5-17(12-14)29(23,27)28/h1-12H,13H2,(H,24,26)(H2,23,27,28)
InChIKeyPOMDVZWSQSQXIZ-UHFFFAOYSA-N
XLogP2.63
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide
CID 39976343
6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 63978563
3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide
CID 55641528
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535159
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
N-[(3-aminophenyl)methyl]-4-fluorobenzamide
CID 55083550
[2-(benzylcarbamoyl)phenyl] 3-fluorobenzenesulfonate
CID 32939786
1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
CID 51970987
4-hydroxy-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 79192761
2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 166221897
N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2333220

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide (CID 32566324) is 2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide is NS(=O)(=O)c1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide?
The InChIKey is POMDVZWSQSQXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4S/c22-16-10-8-15(9-11-16)20(25)18-6-1-2-7-19(18)21(26)24-13-14-4-3-5-17(12-14)29(23,27)28/h1-12H,13H2,(H,24,26)(H2,23,27,28).
What are the key properties of 2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide?
2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide has a molecular weight of 412.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 32566324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).