Basic information
- Standard SMILES
COc1ccc(NS(=O)(=O)c2ccc(C(C)C)cn2)cn1- InChIKey
ZKILSBUEIBHHCR-UHFFFAOYSA-N- Molecular formula
- C14H17N3O3S
- Average molar mass
- 307.37 g/mol
Names & identifiers
- Preferred name
- 5-Isopropyl-pyridine-2-sulfonic acid (6-methoxy-pyridin-3-yl)-amide
- IUPAC
- N-(6-methoxy-3-pyridinyl)-5-propan-2-ylpyridine-2-sulfonamide
Names & synonyms
SCHEMBL1038924ZKILSBUEIBHHCR-UHFFFAOYSA-N5-Isopropyl-pyridine-2-sulfonic acid (6-methoxy-pyridin-3-yl)-amide
Database identifiers
- PubChem CID
- 58978379
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Related reactions
3 records
Linked notes
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