2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide

C15H17N3O3S — CID 970060

IUPAC2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(c1ccccc1C(=O)NCc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C15H17N3O3S/c1-18(22(2,20)21)14-9-4-3-8-13(14)15(19)17-11-12-7-5-6-10-16-12/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyXHMGCFZBVCICDV-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.41
Rot. Bonds5

About 2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide

2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 970060) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID970060
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(c1ccccc1C(=O)NCc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C15H17N3O3S/c1-18(22(2,20)21)14-9-4-3-8-13(14)15(19)17-11-12-7-5-6-10-16-12/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyXHMGCFZBVCICDV-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide (CID 970060) is 2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide is CN(c1ccccc1C(=O)NCc1ccccn1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is XHMGCFZBVCICDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-18(22(2,20)21)14-9-4-3-8-13(14)15(19)17-11-12-7-5-6-10-16-12/h3-10H,11H2,1-2H3,(H,17,19).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 319.39 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 970060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).