N-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide

C13H11N3O3S — CID 100687953

IUPACN-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide
SMILESCN(c1cccnn1)S(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H11N3O3S/c1-16(12-7-4-8-14-15-12)20(17,18)13-9-10-5-2-3-6-11(10)19-13/h2-9H,1H3
InChIKeyJGKFNEJXSDNKCW-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.05
Rot. Bonds3

About N-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide

N-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide (PubChem CID 100687953) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide
PubChem CID100687953
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide
SMILESCN(c1cccnn1)S(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H11N3O3S/c1-16(12-7-4-8-14-15-12)20(17,18)13-9-10-5-2-3-6-11(10)19-13/h2-9H,1H3
InChIKeyJGKFNEJXSDNKCW-UHFFFAOYSA-N
XLogP2.05
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide?
The IUPAC name of N-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide (CID 100687953) is N-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide is CN(c1cccnn1)S(=O)(=O)c1cc2ccccc2o1.
What is the InChIKey of N-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide?
The InChIKey is JGKFNEJXSDNKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-16(12-7-4-8-14-15-12)20(17,18)13-9-10-5-2-3-6-11(10)19-13/h2-9H,1H3.
What are the key properties of N-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide?
N-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridazin-3-yl-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 100687953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).