4-(4-Benzylaminosulfonylmethylbenzyl)-nitrobenzene

HCID 21876751
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(Cc2ccc(CS(=O)(=O)NCc3ccccc3)cc2)cc1
InChIKey
AKQSVPJEFOHLTR-UHFFFAOYSA-N
Molecular formula
C21H20N2O4S
Average molar mass
396.5 g/mol
Monoisotopic mass
396.1143783

Names & identifiers

Preferred name
4-(4-Benzylaminosulfonylmethylbenzyl)-nitrobenzene
IUPAC
N-benzyl-1-[4-[(4-nitrophenyl)methyl]phenyl]methanesulfonamide

Names & synonyms

SCHEMBL4692690AKQSVPJEFOHLTR-UHFFFAOYSA-N4-(4-benzylaminosulfonylmethylbenzyl)-nitrobenzene

Database identifiers

PubChem CID
21876751

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
100 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
28

Related reactions

13 records
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Compound notes

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