Bis[4-diethylamino-3-nitropheny]lsulfone

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Basic information

CAS: 24612-37-1
Standard SMILES: CCN(CC)c1ccc(S(=O)(=O)c2ccc(N(CC)CC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIKey: YRZVILSHWYXTJJ-UHFFFAOYSA-N
Molecular formula: C20H26N4O6S
Average molar mass: 450.5 g/mol
Monoisotopic mass: 450.15730574

Names & identifiers

Preferred name: Bis[4-diethylamino-3-nitropheny]lsulfone
IUPAC: 4-[4-(diethylamino)-3-nitrophenyl]sulfonyl-N,N-diethyl-2-nitroaniline

Names & synonyms

24612-37-1NSC141676Bis[4-diethylamino-3-nitropheny]lsulfoneDTXSID50947512YRZVILSHWYXTJJ-UHFFFAOYSA-NNSC-1416764,4'-Sulfonylbis(N,N-diethyl-2-nitroaniline)N-(4-([4-(Diethylamino)-3-nitrophenyl]sulfonyl)-2-nitrophenyl)-N,N-diethylamine #

Database identifiers

CAS: 24612-37-1
PubChem CID: 285063
DTXSID: DTXSID50947512

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 141 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 655

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Compound notes

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