3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide

C15H13F2NO3S — CID 110784508

IUPAC3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H13F2NO3S/c1-22(20,21)12-5-2-10(3-6-12)9-18-15(19)11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyYIQKUVXFVYUVIY-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.30
Rot. Bonds4

About 3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide

3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide (PubChem CID 110784508) has the molecular formula C15H13F2NO3S and a molecular weight of 325.34 g/mol. Its IUPAC name is 3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
PubChem CID110784508
Molecular FormulaC15H13F2NO3S
Molecular Weight325.34 g/mol
Exact Mass325.06
IUPAC Name3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H13F2NO3S/c1-22(20,21)12-5-2-10(3-6-12)9-18-15(19)11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyYIQKUVXFVYUVIY-UHFFFAOYSA-N
XLogP2.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-difluoro-N-[(4-methylsulfonylphenyl)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

3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide
CID 60892970
N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764055
(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262866
2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736597
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 2569077
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761105
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 55652815
3-(cyanomethyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 60511881
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2487545
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 87008194

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide (CID 110784508) is 3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide is CS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide?
The InChIKey is YIQKUVXFVYUVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3S/c1-22(20,21)12-5-2-10(3-6-12)9-18-15(19)11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide?
3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide has a molecular weight of 325.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide is sourced from PubChem (CID 110784508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).