4-tert-Butyl-N-pyridin-2-ylmethyl-benzenesulfonamide
Basic information
- CAS
667891-82-9- Standard SMILES
CC(C)(C)c1ccc(S(=O)(=O)NCc2ccccn2)cc1- InChIKey
FSBFQFMQMMIEOQ-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2S
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.12454906
Names & identifiers
- Preferred name
- 4-tert-Butyl-N-pyridin-2-ylmethyl-benzenesulfonamide
- IUPAC
- 4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
Names & synonyms
667891-82-94-tert-Butyl-N-pyridin-2-ylmethyl-benzenesulfonamide4-tert-butyl-N-(pyridin-2-ylmethyl)benzenesulfonamideF3293-02084-(tert-butyl)-N-(pyridin-2-ylmethyl)benzenesulfonamideMLS001206474CHEMBL1385159SCHEMBL120424844-tert-butyl-N-[(pyridin-2-yl)methyl]benzene-1-sulfonamideDTXSID701320864HMS2844K24SMSSF-0270701
Show more names
AKOS000600807SMR000523415ST062359VU0609087-1AP-263/416705294-tert-butyl-N-(2-pyridinylmethyl)benzenesulfonamide[(2-pyridyl)methyl](p-tert-butylphenylsulfonyl)amineZ45524416
Database identifiers
- CAS
667891-82-9- PubChem CID
- 849941
- DTXSID
DTXSID701320864- ChEMBL
CHEMBL1385159- Nikkaji
- J2.310.566G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
Solubility44.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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