Basic information
- CAS
433695-98-8- Standard SMILES
Cc1ccc(S(=O)(=O)NCc2ccccn2)c(C)c1C- InChIKey
XVBRTHWPAZWOKJ-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2S
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.10889899
Names & identifiers
- Preferred name
- 2,3,4-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
- IUPAC
- 2,3,4-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
Names & synonyms
433695-98-82,3,4-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide2,3,4-Trimethyl-N-pyridin-2-ylmethyl-benzenesulfonamideF1132-0389Cambridge id 6972335Oprea1_361793Oprea1_480375MLS0012111652,3,4-trimethyl-N-(2-pyridinylmethyl)benzenesulfonamideCHEMBL1463360DTXSID501322107HMS2831E08
Show more names
SMSSF-0063793AKOS000600729SMR000518631ST50778377AP-263/40917758(2-pyridylmethyl)[(2,3,4-trimethylphenyl)sulfonyl]amineZ13490432872,3,4-trimethyl-N-[(pyridin-2-yl)methyl]benzene-1-sulfonamide
Database identifiers
- CAS
433695-98-8- PubChem CID
- 802156
- DTXSID
DTXSID501322107- ChEMBL
CHEMBL1463360
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Experimental & physicochemical properties
Solubility43.2 [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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