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

C21H18F2N2O3S — CID 155521819

IUPAC4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H18F2N2O3S/c22-18-11-9-17(10-12-18)21(26)24-13-15-5-7-16(8-6-15)14-25-29(27,28)20-4-2-1-3-19(20)23/h1-12,25H,13-14H2,(H,24,26)
InChIKeyLYAUXZMJMNJECU-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.37
Rot. Bonds7

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

4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide (PubChem CID 155521819) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
PubChem CID155521819
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC Name4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H18F2N2O3S/c22-18-11-9-17(10-12-18)21(26)24-13-15-5-7-16(8-6-15)14-25-29(27,28)20-4-2-1-3-19(20)23/h1-12,25H,13-14H2,(H,24,26)
InChIKeyLYAUXZMJMNJECU-UHFFFAOYSA-N
XLogP3.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]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

N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate
CID 47006128
4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50915038
4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287397
4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 18208923
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid
CID 110823533
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703
N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 62502665

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide (CID 155521819) is 4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide is O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The InChIKey is LYAUXZMJMNJECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c22-18-11-9-17(10-12-18)21(26)24-13-15-5-7-16(8-6-15)14-25-29(27,28)20-4-2-1-3-19(20)23/h1-12,25H,13-14H2,(H,24,26).
What are the key properties of 4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide has a molecular weight of 416.45 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 155521819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).