4-(Trifluoromethyl)benzyl-1-(4-nitrophenylsulfonyl)aziridine

HCID 76571302
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC2Cc2ccc(C(F)(F)F)cc2)cc1
InChIKey
VGRGKWANDBSWNB-UHFFFAOYSA-N
Molecular formula
C16H13F3N2O4S
Average molar mass
386.3 g/mol

Names & identifiers

Preferred name
4-(Trifluoromethyl)benzyl-1-(4-nitrophenylsulfonyl)aziridine
IUPAC
1-(4-nitrophenyl)sulfonyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine

Names & synonyms

4-(trifluoromethyl)benzyl-1-(4-nitrophenylsulfonyl)aziridineSCHEMBL1596117VGRGKWANDBSWNB-LGTGAQBVSA-N(S)-2-(4-(trifluoromethyl)benzyl)-1-(4-nitrophenylsulfonyl)aziridine

Database identifiers

PubChem CID
76571302

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
91.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
26

Related reactions

3 records
New reaction record

Compound notes

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