3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

C20H16N4O3S — CID 109064957

IUPAC3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESN#Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C20H16N4O3S/c21-13-17-4-1-2-7-19(17)24-28(26,27)18-6-3-5-16(12-18)20(25)23-14-15-8-10-22-11-9-15/h1-12,24H,14H2,(H,23,25)
InChIKeyZILSUQZGAGWZQX-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.68
Rot. Bonds6

About 3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 109064957) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID109064957
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESN#Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C20H16N4O3S/c21-13-17-4-1-2-7-19(17)24-28(26,27)18-6-3-5-16(12-18)20(25)23-14-15-8-10-22-11-9-15/h1-12,24H,14H2,(H,23,25)
InChIKeyZILSUQZGAGWZQX-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

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Related Compounds

N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064933
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055249
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064949
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109063983
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 32933110
N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060998

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (CID 109064957) is 3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is N#Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is ZILSUQZGAGWZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c21-13-17-4-1-2-7-19(17)24-28(26,27)18-6-3-5-16(12-18)20(25)23-14-15-8-10-22-11-9-15/h1-12,24H,14H2,(H,23,25).
What are the key properties of 3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)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 3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 109064957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).