1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
Basic information
- CAS
13658-79-2- Standard SMILES
Cc1cc(C)n(S(=O)(=O)c2ccc(Cl)cc2)n1- InChIKey
OVFPKMUUPVEUOA-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O2S
- Average molar mass
- 270.74 g/mol
- Monoisotopic mass
- 270.0229765
Names & identifiers
- Preferred name
- 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
- IUPAC
- 1-(4-chlorophenyl)sulfonyl-3,5-dimethylpyrazole
- English name
- 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
- Molecular formula
- C11H11ClN2O2S
- Molecular weight
- 270.74
Names & synonyms
1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole13658-79-21-(4-chlorophenyl)sulfonyl-3,5-dimethylpyrazole1-((4-chlorophenyl)sulfonyl)-3,5-dimethyl-1H-pyrazoleCambridge id 5282410CBDivE_014176MLS0012100241-(4-Chloro-benzenesulfonyl)-3,5-dimethyl-1H-pyrazoleCHEMBL1378315DTXSID001321728HMS2845I04STK871004
Show more names
1H-Pyrazole, 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-
AKOS000618104NCGC00661782-01SMR000514969ST50776344AB00079073-01AG-690/101190381-[(3,5-dimethylpyrazolyl)sulfonyl]-4-chlorobenzeneZ2734676732
Database identifiers
- CAS
13658-79-2- PubChem CID
- 791827
- DTXSID
DTXSID001321728- ChEMBL
CHEMBL1378315
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 360
Experimental & physicochemical properties
Solubility5.4 [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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