3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide

C23H23FN4O4S — CID 53283325

IUPAC3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide
SMILESCN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1)c1ccccc1F
InChIInChI=1S/C23H23FN4O4S/c1-27(2)33(31,32)28(21-9-4-3-8-20(21)24)15-16-10-12-17(13-11-16)23(30)26-19-7-5-6-18(14-19)22(25)29/h3-14H,15H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyYUFLYMVWAOMZOH-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.99
Rot. Bonds8

About 3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide

3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide (PubChem CID 53283325) has the molecular formula C23H23FN4O4S and a molecular weight of 470.53 g/mol. Its IUPAC name is 3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide
PubChem CID53283325
Molecular FormulaC23H23FN4O4S
Molecular Weight470.53 g/mol
Exact Mass470.14
IUPAC Name3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide
SMILESCN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1)c1ccccc1F
InChIInChI=1S/C23H23FN4O4S/c1-27(2)33(31,32)28(21-9-4-3-8-20(21)24)15-16-10-12-17(13-11-16)23(30)26-19-7-5-6-18(14-19)22(25)29/h3-14H,15H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyYUFLYMVWAOMZOH-UHFFFAOYSA-N
XLogP2.99
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-chloro-4-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzoate
CID 46764334
ethyl 2-chloro-5-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzoate
CID 43908588
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53283286
ethyl 3-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate
CID 46762996
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(2-ethylsulfanylphenyl)benzamide
CID 28569994
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide
CID 18891155
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92675281
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
N-[(4-chlorophenyl)methyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-methylbenzamide
CID 99950497
N-[2-(4-chlorophenyl)sulfanylethyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzamide
CID 18891092
2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 18891129

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide?
The IUPAC name of 3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide (CID 53283325) is 3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide.
What is the SMILES notation for 3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide?
The canonical SMILES for 3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide is CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1)c1ccccc1F.
What is the InChIKey of 3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide?
The InChIKey is YUFLYMVWAOMZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4S/c1-27(2)33(31,32)28(21-9-4-3-8-20(21)24)15-16-10-12-17(13-11-16)23(30)26-19-7-5-6-18(14-19)22(25)29/h3-14H,15H2,1-2H3,(H2,25,29)(H,26,30).
What are the key properties of 3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide?
3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide has a molecular weight of 470.53 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]benzamide is sourced from PubChem (CID 53283325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).