4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide

C15H17N3O3S — CID 2532820

IUPAC4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C15H17N3O3S/c1-18(2)22(20,21)14-8-6-12(7-9-14)15(19)17-11-13-5-3-4-10-16-13/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyYBZYHLAFYNYDGG-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.26
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide

4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 2532820) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID2532820
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C15H17N3O3S/c1-18(2)22(20,21)14-8-6-12(7-9-14)15(19)17-11-13-5-3-4-10-16-13/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyYBZYHLAFYNYDGG-UHFFFAOYSA-N
XLogP1.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide (CID 2532820) is 4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is YBZYHLAFYNYDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-18(2)22(20,21)14-8-6-12(7-9-14)15(19)17-11-13-5-3-4-10-16-13/h3-10H,11H2,1-2H3,(H,17,19).
What are the key properties of 4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 319.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 2532820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).