Benzenamine, 4,4'-sulfonylbis[N-heptyl-2-nitro-

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Basic information

CAS: 14894-45-2
Standard SMILES: CCCCCCCNc1ccc(S(=O)(=O)c2ccc(NCCCCCCC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIKey: NVSMZIYFJYNZAM-UHFFFAOYSA-N
Molecular formula: C26H38N4O6S
Average molar mass: 534.7 g/mol
Monoisotopic mass: 534.25120612

Names & identifiers

Preferred name: Benzenamine, 4,4'-sulfonylbis[N-heptyl-2-nitro-
IUPAC: N-heptyl-4-[4-(heptylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline

Names & synonyms

14894-45-2Benzenamine, 4,4'-sulfonylbis[N-heptyl-2-nitro-NSC177733DTXSID90306588NSC-1777334,4'-Sulfonylbis(N-heptyl-2-nitroaniline)DS-009847Benzenamine, 4,4-sulfonylbis[n-heptyl-2-nitro-

Database identifiers

CAS: 14894-45-2
PubChem CID: 301229
DTXSID: DTXSID90306588

Properties

Computed structural properties

XLogP: 9.2
Topological polar surface area: 158 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 16
Heavy atoms: 37
Formal charge: 0
Complexity: 721

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Compound notes

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