2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide

C13H11BrN2O3S — CID 4531342

IUPAC2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H11BrN2O3S/c14-10-6-7-12(15-8-10)16-13(17)9-20(18,19)11-4-2-1-3-5-11/h1-8H,9H2,(H,15,16,17)
InChIKeyDRGKSVIJWFLODH-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.26
Rot. Bonds4

About 2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide

2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide (PubChem CID 4531342) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide
PubChem CID4531342
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC Name2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H11BrN2O3S/c14-10-6-7-12(15-8-10)16-13(17)9-20(18,19)11-4-2-1-3-5-11/h1-8H,9H2,(H,15,16,17)
InChIKeyDRGKSVIJWFLODH-UHFFFAOYSA-N
XLogP2.26
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)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)-N-(5-bromo-2-pyridinyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide (CID 4531342) is 2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(Br)cn1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide?
The InChIKey is DRGKSVIJWFLODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c14-10-6-7-12(15-8-10)16-13(17)9-20(18,19)11-4-2-1-3-5-11/h1-8H,9H2,(H,15,16,17).
What are the key properties of 2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide?
2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide has a molecular weight of 355.21 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(5-bromo-2-pyridinyl)acetamide is sourced from PubChem (CID 4531342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).