N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide
Basic information
- CAS
351442-63-2- Standard SMILES
CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
LMTRLUVBAIFQQK-UHFFFAOYSA-N- Molecular formula
- C14H13N3O5S
- Average molar mass
- 335.34 g/mol
- Monoisotopic mass
- 335.0575917
Names & identifiers
- Preferred name
- N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide
- IUPAC
- N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide
Names & synonyms
N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide351442-63-2ZINC318711CBMicro_046495CBKinase1_001229CBKinase1_013629Cambridge id 6125437Oprea1_120970Oprea1_125809MLS000715430CHEMBL1372910DTXSID601332949
Show more names
HMS2703N15MFCD00495680STK059790AKOS000608493NCGC00161747-01SMR000275409BIM-0046412.P001ZINC000000318711
Database identifiers
- CAS
351442-63-2- PubChem CID
- 808022
- DTXSID
DTXSID601332949- ChEMBL
CHEMBL1372910
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 540
Experimental & physicochemical properties
Solubility47.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…