N-(4-Amino-2-nitro-phenyl)-4-methyl-benzenesulfonamide
Basic information
- CAS
28005-47-2- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2[N+](=O)[O-])cc1- InChIKey
QRXVDRYMIFNIIX-UHFFFAOYSA-N- Molecular formula
- C13H13N3O4S
- Average molar mass
- 307.33 g/mol
- Monoisotopic mass
- 307.06267708
Names & identifiers
- Preferred name
- N-(4-Amino-2-nitro-phenyl)-4-methyl-benzenesulfonamide
- IUPAC
- N-(4-amino-2-nitrophenyl)-4-methylbenzenesulfonamide
- English name
- N-(4-Amino-2-nitro-phenyl)-4-methyl-benzenesulfonamide
- Molecular formula
- C13H13N3O4S
- Molecular weight
- 307.33
Names & synonyms
N-(4-Amino-2-nitro-phenyl)-4-methyl-benzenesulfonamideAKOS000581664Benzenesulfonamide, N-(4-amino-2-nitrophenyl)-4-methyl-
Database identifiers
- CAS
28005-47-2- PubChem CID
- 3095281
- EC Number
- 151-398-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 463
Physicochemical properties
- Boiling point
- 528.158 · 528.158±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.471 · 1.471±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.182 · 9.182±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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