N-(5-bromo-pyridin-3-ylmethyl)-methanesulfonamide
Basic information
- CAS
173999-05-8- Standard SMILES
CS(=O)(=O)NCc1cncc(Br)c1- InChIKey
KAAICSHHAREOHS-UHFFFAOYSA-N- Molecular formula
- C7H9BrN2O2S
- Average molar mass
- 265.13 g/mol
- Monoisotopic mass
- 263.95681
Names & identifiers
- Preferred name
- N-(5-bromo-pyridin-3-ylmethyl)-methanesulfonamide
- IUPAC
- N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide
Names & synonyms
173999-05-8N-(5-bromo-pyridin-3-ylmethyl)-methanesulfonamideN-((5-bromopyridin-3-yl)methyl)methanesulfonamideN-[(5-bromopyridin-3-yl)methyl]methanesulfonamideN-[(5-Bromo-3-pyridinyl)methyl]methanesulfonamideMethanesulfonamide, N-[(5-bromo-3-pyridinyl)methyl]-SCHEMBL1606249KAAICSHHAREOHS-UHFFFAOYSA-NDTXSID501233740DA-09286
Database identifiers
- CAS
173999-05-8- PubChem CID
- 59534656
- DTXSID
DTXSID501233740
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 250
Related reactions
12 records
Compound notes
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