5-Chloro-4,6-dimethyl-3-(phenylsulfonyl)-2(1H)-pyridinone
Basic information
- CAS
338398-23-5- Standard SMILES
Cc1[nH]c(=O)c(S(=O)(=O)c2ccccc2)c(C)c1Cl- InChIKey
WKVQPYVXBZLCHT-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO3S
- Average molar mass
- 297.76 g/mol
- Monoisotopic mass
- 297.0226421
Names & identifiers
- Preferred name
- 5-Chloro-4,6-dimethyl-3-(phenylsulfonyl)-2(1H)-pyridinone
- IUPAC
- 3-(benzenesulfonyl)-5-chloro-4,6-dimethyl-1H-pyridin-2-one
Names & synonyms
338398-23-55-chloro-4,6-dimethyl-3-(phenylsulfonyl)-2(1H)-pyridinoneRefChem:3025423-(benzenesulfonyl)-5-chloro-4,6-dimethyl-1H-pyridin-2-oneMFCD013167813-(benzenesulfonyl)-5-chloro-4,6-dimethyl-1,2-dihydropyridin-2-oneOprea1_701191MLS001195399CHEMBL1323420DTXSID901197772HMS2872D13AKOS015992377
Show more names
2H-354SSMR000550561SR-01000307774SR-01000307774-13-(Benzenesulfonyl)-5-chloro-4,6-dimethylpyridin-2(1H)-one5-Chloro-4,6-dimethyl-3-(phenylsulfonyl)pyridin-2(1H)-one
Database identifiers
- CAS
338398-23-5- PubChem CID
- 3249236
- DTXSID
DTXSID901197772- ChEMBL
CHEMBL1323420
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 563
Experimental & physicochemical properties
Solubility44.2 [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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