N-[(5-Bromo-2-thienyl)sulfonyl]glycine methyl ester
Basic information
- CAS
888698-28-0- Standard SMILES
COC(=O)CNS(=O)(=O)c1ccc(Br)s1- InChIKey
ASALLHZUZUXMRL-UHFFFAOYSA-N- Molecular formula
- C7H8BrNO4S2
- Average molar mass
- 314.2 g/mol
- Monoisotopic mass
- 312.90781
Names & identifiers
- Preferred name
- N-[(5-Bromo-2-thienyl)sulfonyl]glycine methyl ester
- IUPAC
- methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate
Names & synonyms
N-[(5-Bromo-2-thienyl)sulfonyl]glycine methyl esterDTXSID701221949AKOS003858515888698-28-0Methyl N-(5-bromothiophene-2-sulfonyl)glycinate
Database identifiers
- CAS
888698-28-0- PubChem CID
- 8470535
- DTXSID
DTXSID701221949
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 326
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Related reactions
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Compound notes
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