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

C22H20F2N2O3S — CID 53287397

IUPAC4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1)c1ccccc1F
InChIInChI=1S/C22H20F2N2O3S/c1-30(28,29)26(21-5-3-2-4-20(21)24)15-17-6-10-18(11-7-17)22(27)25-14-16-8-12-19(23)13-9-16/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyHTZFABPUVWLKMS-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.86
Rot. Bonds7

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

4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 53287397) has the molecular formula C22H20F2N2O3S and a molecular weight of 430.48 g/mol. Its IUPAC name is 4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID53287397
Molecular FormulaC22H20F2N2O3S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Name4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1)c1ccccc1F
InChIInChI=1S/C22H20F2N2O3S/c1-30(28,29)26(21-5-3-2-4-20(21)24)15-17-6-10-18(11-7-17)22(27)25-14-16-8-12-19(23)13-9-16/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyHTZFABPUVWLKMS-UHFFFAOYSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
CID 53287203
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287344
N-[2-(4-fluorophenyl)ethyl]-4-[(N-methylsulfonyl-2-phenylanilino)methyl]benzamide
CID 100501509
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53283286
N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
CID 53287040
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 53283141
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 92679889
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53287191
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 53283224
4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521819
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287117
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 53283208

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide (CID 53287397) is 4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide is CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1)c1ccccc1F.
What is the InChIKey of 4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is HTZFABPUVWLKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S/c1-30(28,29)26(21-5-3-2-4-20(21)24)15-17-6-10-18(11-7-17)22(27)25-14-16-8-12-19(23)13-9-16/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of 4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide?
4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 430.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 53287397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).