Basic information
- CAS
110654-37-0- Standard SMILES
O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2ccccc2)cc1- InChIKey
MKUUSIGEUBPQQH-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4S
- Average molar mass
- 292.31 g/mol
- Monoisotopic mass
- 292.05177804
Names & identifiers
- Preferred name
- N-(4-nitrophenyl)-1-phenylmethanesulfonamide
- IUPAC
- N-(4-nitrophenyl)-1-phenylmethanesulfonamide
Names & synonyms
N-(4-nitrophenyl)-1-phenylmethanesulfonamide110654-37-0N-(4-Nitrophenyl)benzenemethanesulfonamideF2189-0111Benzenemethanesulfonamide, N-(4-nitrophenyl)-DTXSID80386036p-(benzylsulfonylamino)nitrobenzeneSMSSF-0017972(4-nitrophenyl)[benzylsulfonyl]amineSTK067507AKOS000672717ST50697536
Database identifiers
- CAS
110654-37-0- PubChem CID
- 2851284
- DTXSID
DTXSID80386036- Nikkaji
- J1.836.059D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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