1-[(4-fluorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
Basic information
- CAS
321742-13-6- Standard SMILES
Cc1cc(C)n(S(=O)(=O)c2ccc(F)cc2)n1- InChIKey
KYWSTGXTYOIHRM-UHFFFAOYSA-N- Molecular formula
- C11H11FN2O2S
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.05252693
Names & identifiers
- Preferred name
- 1-[(4-fluorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
- IUPAC
- 1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole
- English name
- 1-[(4-fluorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
- Molecular formula
- C11H11FN2O2S
- Molecular weight
- 254.28
Names & synonyms
1-[(4-fluorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole321742-13-61-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole1-(4-Fluorobenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole1-((4-fluorophenyl)sulfonyl)-3,5-dimethyl-1H-pyrazoleCBMicro_021733Cambridge id 5478586MLS0012050261-(4-Fluoro-benzenesulfonyl)-3,5-dimethyl-1H-pyrazoleCHEMBL1383187DTXSID701321729HMS2823G22
Show more names
1H-Pyrazole, 1-[(4-fluorophenyl)sulfonyl]-3,5-dimethyl-
CCG-9048STK356250AKOS000595795SMR000514204ST007778BIM-0021503.P001EU-0018110AG-205/10985050
Database identifiers
- CAS
321742-13-6- PubChem CID
- 683290
- DTXSID
DTXSID701321729- ChEMBL
CHEMBL1383187
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 360
Experimental & physicochemical properties
Solubility8.3 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…