Nitrobenzene2nnbismethylsulfonyl

HCID 296455

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Basic information

Standard SMILES: CS(=O)(=O)N(c1ccccc1[N+](=O)[O-])S(C)(=O)=O
InChIKey: NKZKNGVRTHCNCV-UHFFFAOYSA-N
Molecular formula: C8H10N2O6S2
Average molar mass: 294.3 g/mol
Monoisotopic mass: 293.99802839

Names & identifiers

Preferred name: Nitrobenzene2nnbismethylsulfonyl
IUPAC: N-methylsulfonyl-N-(2-nitrophenyl)methanesulfonamide

Names & synonyms

DTXSID90879146NITROBENZENE2NNBISMETHYLSULFONYLRefChem:365713DTXCID401017163NOCAS_879146N-(methylsulfonyl)-N-(2-nitrophenyl)methanesulfonamideN-(Methanesulfonyl)-N-(2-nitrophenyl)methanesulfonamideNSC166615SCHEMBL15689351NKZKNGVRTHCNCV-UHFFFAOYSA-NSTL260961AKOS003819754

Show more names

NSC-166615AG-690/13115113N-{2-nitrophenyl}-N-(methylsulfonyl)methanesulfonamide

Database identifiers

PubChem CID: 296455
DTXSID: DTXSID90879146
Nikkaji: J852.748B

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 134 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 477

Experimental & physicochemical properties

LogP0.81

Related reactions

1 records

New reaction record

HRID 629194As productuspto-grants-2016_04

Compound notes

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