6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide

C11H12N2O3S2 — CID 43629319

IUPAC6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(=O)[nH]c1)c1cccs1
InChIInChI=1S/C11H12N2O3S2/c1-8(10-3-2-6-17-10)13-18(15,16)9-4-5-11(14)12-7-9/h2-8,13H,1H3,(H,12,14)
InChIKeyDKRTZCARBSWGHF-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.48
Rot. Bonds4

About 6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide

6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide (PubChem CID 43629319) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide
PubChem CID43629319
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC Name6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(=O)[nH]c1)c1cccs1
InChIInChI=1S/C11H12N2O3S2/c1-8(10-3-2-6-17-10)13-18(15,16)9-4-5-11(14)12-7-9/h2-8,13H,1H3,(H,12,14)
InChIKeyDKRTZCARBSWGHF-UHFFFAOYSA-N
XLogP1.48
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide 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 6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide (CID 43629319) is 6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(=O)[nH]c1)c1cccs1.
What is the InChIKey of 6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide?
The InChIKey is DKRTZCARBSWGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c1-8(10-3-2-6-17-10)13-18(15,16)9-4-5-11(14)12-7-9/h2-8,13H,1H3,(H,12,14).
What are the key properties of 6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide?
6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide has a molecular weight of 284.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).