N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]benzenesulfonamide
Basic information
- CAS
554406-93-8- Standard SMILES
Cc1cc(C)nc(SC(C)CNS(=O)(=O)c2ccccc2)n1- InChIKey
LACYPFWFPXSOEY-UHFFFAOYSA-N- Molecular formula
- C15H19N3O2S2
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.0918692
Names & identifiers
- Preferred name
- N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]benzenesulfonamide
- IUPAC
- N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]benzenesulfonamide
Names & synonyms
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]benzenesulfonamideMLS001033776CHEMBL1444897DTXSID001332991HMS2713L09AKOS001042660554406-93-8SMR000385660SR-01000040624SR-01000040624-1Z56895718N-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propyl}benzenesulfonamide
Database identifiers
- CAS
554406-93-8- PubChem CID
- 4334677
- DTXSID
DTXSID001332991- ChEMBL
CHEMBL1444897
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Experimental & physicochemical properties
Solubility45.9 [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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