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

C20H16N4O3S — CID 109060862

IUPAC4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccn3)cc2)cc1
InChIInChI=1S/C20H16N4O3S/c21-13-15-4-8-17(9-5-15)24-28(26,27)19-10-6-16(7-11-19)20(25)23-14-18-3-1-2-12-22-18/h1-12,24H,14H2,(H,23,25)
InChIKeyMWUZCDSXWRYAQA-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.68
Rot. Bonds6

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

4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 109060862) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID109060862
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccn3)cc2)cc1
InChIInChI=1S/C20H16N4O3S/c21-13-15-4-8-17(9-5-15)24-28(26,27)19-10-6-16(7-11-19)20(25)23-14-18-3-1-2-12-22-18/h1-12,24H,14H2,(H,23,25)
InChIKeyMWUZCDSXWRYAQA-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-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 134035426
N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 58896333
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060863
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2475991
4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059868
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703
4-[(2-fluorophenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060757
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064830
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40665030
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (CID 109060862) is 4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is N#Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccn3)cc2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is MWUZCDSXWRYAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c21-13-15-4-8-17(9-5-15)24-28(26,27)19-10-6-16(7-11-19)20(25)23-14-18-3-1-2-12-22-18/h1-12,24H,14H2,(H,23,25).
What are the key properties of 4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-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 4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 109060862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).