Basic information
- Standard SMILES
Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1- InChIKey
ROWFUKSYRXBHGY-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2S
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.12454906
Names & identifiers
- Preferred name
- 4-tert-Butyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
- IUPAC
- 4-tert-butyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
Names & synonyms
412964-65-94-tert-Butyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide4-tert-Butyl-N-(6-methyl-pyridin-3-yl)-benzenesulfonamide4-tert-butyl-N-(6-methylpyridin-3-yl)benzenesulfonamideCambridge id 5152046Oprea1_399178CBDivE_004750MLS001008544SCHEMBL1038878CHEMBL1711606HMS2832K24SMR000495837
Show more names
DB-340462AB00074567-01SR-01000197073SR-01000197073-14-tert-Butyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide #Benzenesulfonamide, 4-tert-butyl-N-(6-methylpyridin-3-yl)-
Database identifiers
- PubChem CID
- 617423
- ChEMBL
CHEMBL1711606
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 428
Related reactions
3 records
Compound notes
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