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

C20H16N4O3S — CID 109060998

IUPACN-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C20H16N4O3S/c21-13-17-3-1-2-4-19(17)24-20(25)16-5-7-18(8-6-16)28(26,27)23-14-15-9-11-22-12-10-15/h1-12,23H,14H2,(H,24,25)
InChIKeyYKRBMLCFBDDOMX-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.68
Rot. Bonds6

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

N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide (PubChem CID 109060998) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
PubChem CID109060998
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C20H16N4O3S/c21-13-17-3-1-2-4-19(17)24-20(25)16-5-7-18(8-6-16)28(26,27)23-14-15-9-11-22-12-10-15/h1-12,23H,14H2,(H,24,25)
InChIKeyYKRBMLCFBDDOMX-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-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055249
N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060984
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109060608
4-chloro-N-[2-fluoro-4-(pyridin-4-ylmethylsulfamoyl)phenyl]benzamide
CID 18892602
N-(2-cyanophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191731
N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060995
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064957
N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060943
N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109058441
N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109059702

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide (CID 109060998) is N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide is N#Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The InChIKey is YKRBMLCFBDDOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c21-13-17-3-1-2-4-19(17)24-20(25)16-5-7-18(8-6-16)28(26,27)23-14-15-9-11-22-12-10-15/h1-12,23H,14H2,(H,24,25).
What are the key properties of N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
N-(2-cyanophenyl)-4-(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)-4-(pyridin-4-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109060998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).