6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide

C14H12N2O3S — CID 177036881

IUPAC6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc3ccccc3o2)nc1
InChIInChI=1S/C14H12N2O3S/c1-15-20(17,18)11-6-7-12(16-9-11)14-8-10-4-2-3-5-13(10)19-14/h2-9,15H,1H3
InChIKeyCQDLTGRXDRUEIG-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.40
Rot. Bonds3

About 6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide

6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide (PubChem CID 177036881) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide
PubChem CID177036881
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc3ccccc3o2)nc1
InChIInChI=1S/C14H12N2O3S/c1-15-20(17,18)11-6-7-12(16-9-11)14-8-10-4-2-3-5-13(10)19-14/h2-9,15H,1H3
InChIKeyCQDLTGRXDRUEIG-UHFFFAOYSA-N
XLogP2.40
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1-benzofuran-2-yl)-N-methylpyridine-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-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide (CID 177036881) is 6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(-c2cc3ccccc3o2)nc1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide?
The InChIKey is CQDLTGRXDRUEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-15-20(17,18)11-6-7-12(16-9-11)14-8-10-4-2-3-5-13(10)19-14/h2-9,15H,1H3.
What are the key properties of 6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide?
6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 177036881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).