N-(5-bromo-2-pyridinyl)methanesulfonamide
Basic information
- CAS
89466-22-8- Standard SMILES
CS(=O)(=O)Nc1ccc(Br)cn1- InChIKey
WOYAADKYEDTQCR-UHFFFAOYSA-N- Molecular formula
- C6H7BrN2O2S
- Average molar mass
- 251.1 g/mol
- Monoisotopic mass
- 249.94116
Names & identifiers
- Preferred name
- N-(5-bromo-2-pyridinyl)methanesulfonamide
- IUPAC
- N-(5-bromo-2-pyridinyl)methanesulfonamide
- English name
- N-(5-bromo-2-pyridinyl)methanesulfonamide
- Molecular formula
- C6H7BrN2O2S
- Molecular weight
- 251.1
Names & synonyms
89466-22-8N-(5-bromo-2-pyridinyl)methanesulfonamideDTXSID40355081RefChem:362328DTXCID10306141N-(5-bromopyridin-2-yl)methanesulfonamideMFCD00739958N-(5-bromo-2-pyridyl)methanesulfonamidemethanesulfonamide, N-(5-bromo-2-pyridinyl)-(5-bromo(2-pyridyl))(methylsulfonyl)amineOprea1_824084Oprea1_827129
Show more names
Methanesulfonamide,N-(5-bromo-2-pyridinyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide(SALTDATA: FREE)
CHEMBL4963031SCHEMBL12266080ALBB-026316SBB072998AKOS003244521LS-08944ST066977SY334971
Database identifiers
- CAS
89466-22-8- PubChem CID
- 790872
- DTXSID
DTXSID40355081- ChEMBL
CHEMBL4963031
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 347.5 · 347.5±52.0 °C(Predicted)
- Density
- 1.802 · 1.802±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.74 · 5.74±0.10(Predicted)
- Appearance
- White to off-white Solid
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Compound notes
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