Basic information
- CAS
890598-31-9- Standard SMILES
Cc1cc(C)n(C(C)CNS(=O)(=O)c2ccc(C)c(C)c2)n1- InChIKey
IZLLLSCLHPVXHF-UHFFFAOYSA-N- Molecular formula
- C16H23N3O2S
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.15109816
Names & identifiers
- Preferred name
- N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-3,4-dimethyl-benzenesulfonamide
- IUPAC
- N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide
Names & synonyms
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-3,4-dimethyl-benzenesulfonamide890598-31-9N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamideN-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamideMLS001222066CHEMBL1903454DTXSID301321846HMS2889D22AKOS000604362AKOS016315814SMR000606660ST50318335
Show more names
AP-124/43383366Z274554576[(3,4-dimethylphenyl)sulfonyl][2-(3,5-dimethylpyrazolyl)propyl]amineN-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3,4-dimethylbenzene-1-sulfonamide
Database identifiers
- CAS
890598-31-9- PubChem CID
- 6499786
- DTXSID
DTXSID301321846- ChEMBL
CHEMBL1903454
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 463
Experimental & physicochemical properties
Solubility24.9 [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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