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N-methyl-3,5-dinitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide (HCID 14723800)|Huagongshe
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Compound
N-methyl-3,5-dinitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
HCID
14723800
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CN(CCN1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIKey
UZBNWOARHOSUPI-UHFFFAOYSA-N
Molecular formula
C14H20N4O6S
Average molar mass
372.4 g/mol
Names & identifiers
Preferred name
N-methyl-3,5-dinitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
IUPAC
N-methyl-3,5-dinitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
Database identifiers
PubChem CID
14723800
Properties
Computed structural properties
XLogP
1.6
Topological polar surface area
141 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
25
Formal charge
0
Complexity
554
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Related reactions
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As solvent
HRID
833644
As product
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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