Basic information
- CAS
50889-01-5- Standard SMILES
NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
DYPQNJVXHIRLIE-UHFFFAOYSA-N- Molecular formula
- C14H13N3O5S
- Average molar mass
- 335.34 g/mol
- Monoisotopic mass
- 335.05759152
Names & identifiers
- Preferred name
- 4-nitro-N-(4-sulfamoylbenzyl)-benzamide
- IUPAC
- 4-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide
Names & synonyms
4-nitro-N-(4-sulfamoylbenzyl)-benzamide4-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide50889-01-5Oprea1_370492SCHEMBL6278593DTXSID10399634DYPQNJVXHIRLIE-UHFFFAOYSA-NSTK416802AKOS0032602404-nitro-N-(4-sulfamoylbenzyl)benzamideST50941544(4-nitrophenyl)-N-[(4-sulfamoylphenyl)methyl]carboxamide
Database identifiers
- CAS
50889-01-5- PubChem CID
- 4128426
- DTXSID
DTXSID10399634
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 524
Related reactions
2 records
Compound notes
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