2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide

C10H16N2O4S — CID 165486634

IUPAC2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)c(OC)n1
InChIInChI=1S/C10H16N2O4S/c1-7(2)12-17(13,14)8-5-6-9(15-3)11-10(8)16-4/h5-7,12H,1-4H3
InChIKeyJCKRJRWHBIBVFM-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.79
Rot. Bonds5

About 2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide

2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 165486634) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID165486634
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)c(OC)n1
InChIInChI=1S/C10H16N2O4S/c1-7(2)12-17(13,14)8-5-6-9(15-3)11-10(8)16-4/h5-7,12H,1-4H3
InChIKeyJCKRJRWHBIBVFM-UHFFFAOYSA-N
XLogP0.79
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide (CID 165486634) is 2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide is COc1ccc(S(=O)(=O)NC(C)C)c(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is JCKRJRWHBIBVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-7(2)12-17(13,14)8-5-6-9(15-3)11-10(8)16-4/h5-7,12H,1-4H3.
What are the key properties of 2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide?
2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 260.31 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 165486634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).