4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide

C23H23F2N3O3S — CID 53283286

IUPAC4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide
SMILESCN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2F)cc1)c1ccccc1F
InChIInChI=1S/C23H23F2N3O3S/c1-27(2)32(30,31)28(22-10-6-5-9-21(22)25)16-17-11-13-18(14-12-17)23(29)26-15-19-7-3-4-8-20(19)24/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyRBGAWDMZZHMOEK-UHFFFAOYSA-N
MW459.52 g/mol
LogP3.71
Rot. Bonds8

About 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide

4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 53283286) has the molecular formula C23H23F2N3O3S and a molecular weight of 459.52 g/mol. Its IUPAC name is 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID53283286
Molecular FormulaC23H23F2N3O3S
Molecular Weight459.52 g/mol
Exact Mass459.14
IUPAC Name4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide
SMILESCN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2F)cc1)c1ccccc1F
InChIInChI=1S/C23H23F2N3O3S/c1-27(2)32(30,31)28(22-10-6-5-9-21(22)25)16-17-11-13-18(14-12-17)23(29)26-15-19-7-3-4-8-20(19)24/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyRBGAWDMZZHMOEK-UHFFFAOYSA-N
XLogP3.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 53283208
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 53283224
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 53283141
N-[2-(4-chlorophenyl)sulfanylethyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide
CID 18891092
N-[(4-chlorophenyl)methyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-methylbenzamide
CID 99950497
4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287397
N-[[4-(dimethylamino)phenyl]methyl]-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
CID 53287203
3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide
CID 53283325
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92675281
2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 18891129
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287117
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(2-ethylsulfanylphenyl)benzamide
CID 28569994

Frequently Asked Questions

What is the IUPAC name of 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide (CID 53283286) is 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide is CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2F)cc1)c1ccccc1F.
What is the InChIKey of 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is RBGAWDMZZHMOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3S/c1-27(2)32(30,31)28(22-10-6-5-9-21(22)25)16-17-11-13-18(14-12-17)23(29)26-15-19-7-3-4-8-20(19)24/h3-14H,15-16H2,1-2H3,(H,26,29).
What are the key properties of 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide?
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 459.52 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 53283286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).