1-(2-Nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
Basic information
- CAS
6122-91-4- Standard SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccccn2)CC1- InChIKey
PJFNKTAOOHZYRB-UHFFFAOYSA-N- Molecular formula
- C15H16N4O4S
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.08922618
Names & identifiers
- Preferred name
- 1-(2-Nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
- IUPAC
- 1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
Names & synonyms
309277-86-91-(2-nitrobenzenesulfonyl)-4-(pyridin-2-yl)piperazine1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine1-(2-Nitro-benzenesulfonyl)-4-pyridin-2-yl-piperazine1-((2-Nitrophenyl)sulfonyl)-4-(pyridin-2-yl)piperazine6122-91-41-[(2-nitrophenyl)sulfonyl]-4-(2-pyridinyl)piperazine1-[(2-nitrophenyl)sulfonyl]-4-(pyridin-2-yl)piperazine1-(2-Nitrobenzene-1-sulfonyl)-4-(pyridin-2-yl)piperazineCBMicro_046459Oprea1_020848Oprea1_184930
Show more names
MLS001183891CHEMBL1533569DTXSID30976729HMS2827P21MFCD01567497STK120677AKOS000608558AKOS005109689
Database identifiers
- CAS
6122-91-4- PubChem CID
- 701155
- DTXSID
DTXSID30976729- ChEMBL
CHEMBL1533569
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 537
Experimental & physicochemical properties
Solubility4.1 [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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