N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide

C21H19FN2O3S — CID 4781208

IUPACN-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C21H19FN2O3S/c1-24(18-8-3-2-4-9-18)28(26,27)19-13-11-16(12-14-19)21(25)23-15-17-7-5-6-10-20(17)22/h2-14H,15H2,1H3,(H,23,25)
InChIKeyMYHSYIOIOPLXTA-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.58
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide

N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 4781208) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID4781208
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C21H19FN2O3S/c1-24(18-8-3-2-4-9-18)28(26,27)19-13-11-16(12-14-19)21(25)23-15-17-7-5-6-10-20(17)22/h2-14H,15H2,1H3,(H,23,25)
InChIKeyMYHSYIOIOPLXTA-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 4781208) is N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is MYHSYIOIOPLXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-24(18-8-3-2-4-9-18)28(26,27)19-13-11-16(12-14-19)21(25)23-15-17-7-5-6-10-20(17)22/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4781208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).