N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide

C21H21N3O3S — CID 109064675

IUPACN-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H21N3O3S/c1-24(16-17-8-3-2-4-9-17)21(25)18-10-7-12-20(14-18)28(26,27)23-15-19-11-5-6-13-22-19/h2-14,23H,15-16H2,1H3
InChIKeyMDACMQQTXQQAGH-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.83
Rot. Bonds7

About N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide

N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide (PubChem CID 109064675) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide
PubChem CID109064675
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H21N3O3S/c1-24(16-17-8-3-2-4-9-17)21(25)18-10-7-12-20(14-18)28(26,27)23-15-19-11-5-6-13-22-19/h2-14,23H,15-16H2,1H3
InChIKeyMDACMQQTXQQAGH-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
3-(ethylsulfamoyl)-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55980508
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 134008758
N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064786
N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 109062895
pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate
CID 18136103
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064542
N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064805
3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26591232
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide (CID 109064675) is N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide is CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)NCc2ccccn2)c1.
What is the InChIKey of N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
The InChIKey is MDACMQQTXQQAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-24(16-17-8-3-2-4-9-17)21(25)18-10-7-12-20(14-18)28(26,27)23-15-19-11-5-6-13-22-19/h2-14,23H,15-16H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109064675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).