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

C20H16N4O3S — CID 109060943

IUPACN-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)c1
InChIInChI=1S/C20H16N4O3S/c21-12-15-3-1-5-18(11-15)24-20(25)17-6-8-19(9-7-17)28(26,27)23-14-16-4-2-10-22-13-16/h1-11,13,23H,14H2,(H,24,25)
InChIKeyJEVCXHUAAVACNZ-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.68
Rot. Bonds6

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

N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide (PubChem CID 109060943) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
PubChem CID109060943
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)c1
InChIInChI=1S/C20H16N4O3S/c21-12-15-3-1-5-18(11-15)24-20(25)17-6-8-19(9-7-17)28(26,27)23-14-16-4-2-10-22-13-16/h1-11,13,23H,14H2,(H,24,25)
InChIKeyJEVCXHUAAVACNZ-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-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide
CID 9245616
N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235482
N-(3-fluorophenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064872
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109060608
N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061321
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 2564609
4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70661029
N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060995
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
4-[[[3-(prop-2-enoylamino)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50912860
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide (CID 109060943) is N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide is N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The InChIKey is JEVCXHUAAVACNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c21-12-15-3-1-5-18(11-15)24-20(25)17-6-8-19(9-7-17)28(26,27)23-14-16-4-2-10-22-13-16/h1-11,13,23H,14H2,(H,24,25).
What are the key properties of N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
N-(3-cyanophenyl)-4-(pyridin-3-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-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109060943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).