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

C22H23FN4O3S — CID 53283208

IUPAC4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccn2)cc1)c1ccccc1F
InChIInChI=1S/C22H23FN4O3S/c1-26(2)31(29,30)27(21-9-4-3-8-20(21)23)16-17-10-12-18(13-11-17)22(28)25-15-19-7-5-6-14-24-19/h3-14H,15-16H2,1-2H3,(H,25,28)
InChIKeyUTHYWXZAEGIINS-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.96
Rot. Bonds8

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

4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 53283208) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID53283208
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccn2)cc1)c1ccccc1F
InChIInChI=1S/C22H23FN4O3S/c1-26(2)31(29,30)27(21-9-4-3-8-20(21)23)16-17-10-12-18(13-11-17)22(28)25-15-19-7-5-6-14-24-19/h3-14H,15-16H2,1-2H3,(H,25,28)
InChIKeyUTHYWXZAEGIINS-UHFFFAOYSA-N
XLogP2.96
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53283286
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
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92675281
N-[2-(4-chlorophenyl)sulfanylethyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide
CID 18891092
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 53287622
4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287397
N-[(4-chlorophenyl)methyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-methylbenzamide
CID 99950497
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
2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 18891129
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-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 53283208) is 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide is CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccn2)cc1)c1ccccc1F.
What is the InChIKey of 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is UTHYWXZAEGIINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-26(2)31(29,30)27(21-9-4-3-8-20(21)23)16-17-10-12-18(13-11-17)22(28)25-15-19-7-5-6-14-24-19/h3-14H,15-16H2,1-2H3,(H,25,28).
What are the key properties of 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 442.52 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 53283208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).