4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine
Basic information
- CAS
321970-52-9- Standard SMILES
CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
KMPYGZSGASXYPW-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4S
- Average molar mass
- 284.33 g/mol
- Monoisotopic mass
- 284.08307817
Names & identifiers
- Preferred name
- 4-Methyl-1-(4-nitrophenyl)sulfonylpiperidine
- IUPAC
- 4-methyl-1-(4-nitrophenyl)sulfonylpiperidine
Names & synonyms
321970-52-94-methyl-1-(4-nitrophenyl)sulfonylpiperidine4-methyl-1-(4-nitrobenzenesulfonyl)piperidine4-Methyl-1-(4-nitro-benzenesulfonyl)-piperidine4-Methyl-1-(4-nitrobenzene-1-sulfonyl)piperidineF0306-00644-methyl-1-((4-nitrophenyl)sulfonyl)piperidine4-methyl-1-[(4-nitrophenyl)sulfonyl]piperidineCambridge id 5349800Oprea1_130787Oprea1_685227MLS001207799
Show more names
CHEMBL1417380DTXSID301322832HMS2818H14SMSSF-0043789STK052828AKOS000523656DA-23073SMR000514067
Database identifiers
- CAS
321970-52-9- PubChem CID
- 779388
- DTXSID
DTXSID301322832- ChEMBL
CHEMBL1417380- Nikkaji
- J2.244.427A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 410
Experimental & physicochemical properties
Solubility3.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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