2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide

C15H17N3O3S — CID 890526

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N3O3S/c1-18(22(20,21)14-8-3-2-4-9-14)12-15(19)17-11-13-7-5-6-10-16-13/h2-10H,11-12H2,1H3,(H,17,19)
InChIKeyQBXFEQRWZNFIFE-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.02
Rot. Bonds6

About 2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 890526) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID890526
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N3O3S/c1-18(22(20,21)14-8-3-2-4-9-14)12-15(19)17-11-13-7-5-6-10-16-13/h2-10H,11-12H2,1H3,(H,17,19)
InChIKeyQBXFEQRWZNFIFE-UHFFFAOYSA-N
XLogP1.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide (CID 890526) is 2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide is CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is QBXFEQRWZNFIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-18(22(20,21)14-8-3-2-4-9-14)12-15(19)17-11-13-7-5-6-10-16-13/h2-10H,11-12H2,1H3,(H,17,19).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 319.39 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 890526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).