2-(benzenesulfonyl)-N-pyridin-2-ylacetamide

C13H12N2O3S — CID 974461

IUPAC2-(benzenesulfonyl)-N-pyridin-2-ylacetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccccn1
InChIInChI=1S/C13H12N2O3S/c16-13(15-12-8-4-5-9-14-12)10-19(17,18)11-6-2-1-3-7-11/h1-9H,10H2,(H,14,15,16)
InChIKeyWBMAWMWOMYDFGB-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.49
Rot. Bonds4

About 2-(benzenesulfonyl)-N-pyridin-2-ylacetamide

2-(benzenesulfonyl)-N-pyridin-2-ylacetamide (PubChem CID 974461) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-pyridin-2-ylacetamide
PubChem CID974461
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-(benzenesulfonyl)-N-pyridin-2-ylacetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccccn1
InChIInChI=1S/C13H12N2O3S/c16-13(15-12-8-4-5-9-14-12)10-19(17,18)11-6-2-1-3-7-11/h1-9H,10H2,(H,14,15,16)
InChIKeyWBMAWMWOMYDFGB-UHFFFAOYSA-N
XLogP1.49
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-pyridin-2-ylacetamide (CID 974461) is 2-(benzenesulfonyl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-pyridin-2-ylacetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1ccccn1.
What is the InChIKey of 2-(benzenesulfonyl)-N-pyridin-2-ylacetamide?
The InChIKey is WBMAWMWOMYDFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-13(15-12-8-4-5-9-14-12)10-19(17,18)11-6-2-1-3-7-11/h1-9H,10H2,(H,14,15,16).
What are the key properties of 2-(benzenesulfonyl)-N-pyridin-2-ylacetamide?
2-(benzenesulfonyl)-N-pyridin-2-ylacetamide has a molecular weight of 276.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 974461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).