Basic information
- CAS
957355-13-4- Standard SMILES
COc1ccc(F)cc1S(=O)(=O)n1nc(C)cc1C- InChIKey
GJPUWNISXXBUPG-UHFFFAOYSA-N- Molecular formula
- C12H13FN2O3S
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.06309162
Names & identifiers
- Preferred name
- 1-(5-Fluoro-2-methoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
- IUPAC
- 1-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
Names & synonyms
1-(5-Fluoro-2-methoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole957355-13-41-(5-fluoro-2-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole1-[(5-fluoro-2-methoxyphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazoleMLS001205472CHEMBL1566992DTXSID601321726STK354273AKOS000601184NCGC00663564-01SMR000524015ST50282929
Show more names
AP-263/42234247Z577051752-[(3,5-dimethylpyrazolyl)sulfonyl]-4-fluoro-1-methoxybenzene1-(5-Fluoro-2-methoxybenzene-1-sulfonyl)-3,5-dimethyl-1H-pyrazole
Database identifiers
- CAS
957355-13-4- PubChem CID
- 977005
- DTXSID
DTXSID601321726- ChEMBL
CHEMBL1566992
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 412
Experimental & physicochemical properties
Solubility10 [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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