N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide

C20H16N4O3S — CID 109064933

IUPACN-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESN#Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCc2ccncc2)c1
InChIInChI=1S/C20H16N4O3S/c21-13-17-4-1-2-7-19(17)24-20(25)16-5-3-6-18(12-16)28(26,27)23-14-15-8-10-22-11-9-15/h1-12,23H,14H2,(H,24,25)
InChIKeyXDMAPFIYOSYLSL-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.68
Rot. Bonds6

About N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide

N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide (PubChem CID 109064933) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide
PubChem CID109064933
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESN#Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCc2ccncc2)c1
InChIInChI=1S/C20H16N4O3S/c21-13-17-4-1-2-7-19(17)24-20(25)16-5-3-6-18(12-16)28(26,27)23-14-15-8-10-22-11-9-15/h1-12,23H,14H2,(H,24,25)
InChIKeyXDMAPFIYOSYLSL-UHFFFAOYSA-N
XLogP2.68
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)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-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060998
3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064957
3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055249
N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063792
N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 109062122
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide (CID 109064933) is N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide is N#Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCc2ccncc2)c1.
What is the InChIKey of N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide?
The InChIKey is XDMAPFIYOSYLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c21-13-17-4-1-2-7-19(17)24-20(25)16-5-3-6-18(12-16)28(26,27)23-14-15-8-10-22-11-9-15/h1-12,23H,14H2,(H,24,25).
What are the key properties of N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide?
N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide has a molecular weight of 392.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109064933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).