N-(4-(5-aminopyridin-3-yl)phenyl)methanesulfonamide
Basic information
- CAS
1258624-12-2- Standard SMILES
CS(=O)(=O)Nc1ccc(-c2cncc(N)c2)cc1- InChIKey
DKNBVHZTLQEZSD-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2S
- Average molar mass
- 263.32 g/mol
- Monoisotopic mass
- 263.07284784
Names & identifiers
- Preferred name
- N-(4-(5-aminopyridin-3-yl)phenyl)methanesulfonamide
- IUPAC
- N-[4-(5-amino-3-pyridinyl)phenyl]methanesulfonamide
- English name
- N-(4-(5-aMinopyridin-3-yl)phenyl)MethanesulfonaMide
- Molecular formula
- C12H13N3O2S
- Molecular weight
- 263.32
Names & synonyms
N-(4-(5-aminopyridin-3-yl)phenyl)methanesulfonamide1258624-12-2N-[4-(5-Aminopyridin-3-yl)phenyl]methanesulfonamideDTXSID40745302DB-298385Methanesulfonamide, N-[4-(5-amino-3-pyridinyl)phenyl]-
Database identifiers
- CAS
1258624-12-2- PubChem CID
- 71304500
- DTXSID
DTXSID40745302
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Boiling point
- 520.3 · 520.3±60.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.75 · 7.75±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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