1-[(2-Nitrophenyl)sulfonyl]-4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazine

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Basic information

CAS: 725705-52-2
Standard SMILES: O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1N1CCCCC1
InChIKey: KRKRSKWGWBDVAO-UHFFFAOYSA-N
Molecular formula: C21H25N5O6S
Average molar mass: 475.5 g/mol
Monoisotopic mass: 475.15255471

Names & identifiers

Preferred name: 1-[(2-Nitrophenyl)sulfonyl]-4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazine
IUPAC: 1-(2-nitrophenyl)sulfonyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine

Names & synonyms

DTXSID001147099STK1719891-[(2-nitrophenyl)sulfonyl]-4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazineAKOS000425819725705-52-21-[(2-Nitrophenyl)sulfonyl]-4-[4-nitro-3-(1-piperidinyl)phenyl]piperazine1-(2-Nitrobenzene-1-sulfonyl)-4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazine

Database identifiers

CAS: 725705-52-2
PubChem CID: 4655451
DTXSID: DTXSID001147099

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 144 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 4
Heavy atoms: 33
Formal charge: 0
Complexity: 795

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Compound notes

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