4-Bromo-N-morpholinobenzenesulfonamide
Basic information
- CAS
64268-87-7- Standard SMILES
O=S(=O)(NN1CCOCC1)c1ccc(Br)cc1- InChIKey
MUJJUACHAFOJFQ-UHFFFAOYSA-N- Molecular formula
- C10H13BrN2O3S
- Average molar mass
- 321.19 g/mol
- Monoisotopic mass
- 319.98303
Names & identifiers
- Preferred name
- 4-Bromo-N-morpholinobenzenesulfonamide
- IUPAC
- 4-bromo-N-morpholin-4-ylbenzenesulfonamide
- English name
- 4-Bromo-N-morpholinobenzenesulfonamide
- Molecular formula
- C10H13BrN2O3S
- Molecular weight
- 321.19
Names & synonyms
4-Bromo-N-morpholinobenzenesulfonamide64268-87-74-bromo-N-morpholin-4-ylbenzenesulfonamide4-bromo-N-(morpholin-4-yl)benzene-1-sulfonamideMLS001125852CHEMBL1725360DTXSID201333040HMS1590L13HMS2975I16STK442075AKOS0032751504-bromo-N-morpholino-benzenesulfonamide
Show more names
Benzenesulfonamide, 4-bromo-N-4-morpholinyl-
NCGC00229737-01SMR000665433CS-0366787ST50921808[(4-bromophenyl)sulfonyl]morpholin-4-ylamine4-bromo-N-(morpholin-4-yl)benzenesulfonamideBRD-K51064863-001-06-2
Database identifiers
- CAS
64268-87-7- PubChem CID
- 896933
- DTXSID
DTXSID201333040- ChEMBL
CHEMBL1725360- Nikkaji
- J3.117.927K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 330
Experimental & physicochemical properties
Solubility38.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 161 · 161-162 °C(Solv: ethanol (64-17-5))
- Boiling point
- 431.7 · 431.7±55.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.5 · 8.50±0.20(Predicted)
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Compound notes
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