N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide

C21H21N3O3S — CID 109060938

IUPACN-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESCCN(C(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1)c1ccccc1
InChIInChI=1S/C21H21N3O3S/c1-2-24(19-8-4-3-5-9-19)21(25)18-10-12-20(13-11-18)28(26,27)23-16-17-7-6-14-22-15-17/h3-15,23H,2,16H2,1H3
InChIKeyHAKWCXWQMPBXIZ-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.23
Rot. Bonds7

About N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide

N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide (PubChem CID 109060938) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
PubChem CID109060938
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESCCN(C(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1)c1ccccc1
InChIInChI=1S/C21H21N3O3S/c1-2-24(19-8-4-3-5-9-19)21(25)18-10-12-20(13-11-18)28(26,27)23-16-17-7-6-14-22-15-17/h3-15,23H,2,16H2,1H3
InChIKeyHAKWCXWQMPBXIZ-UHFFFAOYSA-N
XLogP3.23
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-phenyl-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064866
N,N-dipropyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060934
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926
3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide
CID 50914019
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4801676
1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
CID 46932084
6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid
CID 63872025
N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 1428458
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate
CID 1082995
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide (CID 109060938) is N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide is CCN(C(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
The InChIKey is HAKWCXWQMPBXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-2-24(19-8-4-3-5-9-19)21(25)18-10-12-20(13-11-18)28(26,27)23-16-17-7-6-14-22-15-17/h3-15,23H,2,16H2,1H3.
What are the key properties of N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide?
N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109060938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).