2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide

C14H15N3O3S — CID 2219869

IUPAC2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide
SMILESCN(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15N3O3S/c1-17(21(19,20)13-7-3-2-4-8-13)11-14(18)16-12-6-5-9-15-10-12/h2-10H,11H2,1H3,(H,16,18)
InChIKeyUCAFEBJBMURDRC-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.34
Rot. Bonds5

About 2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide

2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide (PubChem CID 2219869) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide
PubChem CID2219869
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide
SMILESCN(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15N3O3S/c1-17(21(19,20)13-7-3-2-4-8-13)11-14(18)16-12-6-5-9-15-10-12/h2-10H,11H2,1H3,(H,16,18)
InChIKeyUCAFEBJBMURDRC-UHFFFAOYSA-N
XLogP1.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide (CID 2219869) is 2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide is CN(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide?
The InChIKey is UCAFEBJBMURDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-17(21(19,20)13-7-3-2-4-8-13)11-14(18)16-12-6-5-9-15-10-12/h2-10H,11H2,1H3,(H,16,18).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide?
2-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylacetamide has a molecular weight of 305.36 g/mol, XLogP of 1.34, 5 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-3-ylacetamide is sourced from PubChem (CID 2219869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).