N-butyl-2-nitrobenzenesulfonamide
Basic information
- CAS
89840-64-2- Standard SMILES
CCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
HJFAPXHHSJMZAB-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.06742811
Names & identifiers
- Preferred name
- N-butyl-2-nitrobenzenesulfonamide
- IUPAC
- N-butyl-2-nitrobenzenesulfonamide
- English name
- N-BUTYL-2-NITRO-BENZENESULFONAMIDE
- Molecular formula
- C10H14N2O4S
- Molecular weight
- 258.29
Names & synonyms
N-butyl-2-nitrobenzenesulfonamide89840-64-2MFCD00577596N-butyl-2-nitrobenzene-1-sulfonamideBenzenesulfonamide, N-butyl-2-nitro-CBDivE_014256SCHEMBL8578058DTXSID60385486butyl[(2-nitrophenyl)sulfonyl]amineSTK048111AKOS002935706SB81453
Show more names
BS-23935N-BUTYL-2-NITRO-BENZENESULFONAMIDEST010982CS-0211284I83895SR-01000200583SR-01000200583-1Z45516923
Database identifiers
- CAS
89840-64-2- PubChem CID
- 2836766
- DTXSID
DTXSID60385486- Nikkaji
- J2.207.123H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 61 °C · 61 °C
- Boiling point
- 406.6 · 406.6±47.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- pka
- 10.78 · 10.78±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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