Benzyl [1-(5-bromopyridine-3-sulfonyl)azetidin-3-yl]carbamate
Basic information
- CAS
1244060-06-7- Standard SMILES
O=C(NC1CN(S(=O)(=O)c2cncc(Br)c2)C1)OCc1ccccc1- InChIKey
UHFYKGCUMKUOQX-UHFFFAOYSA-N- Molecular formula
- C16H16BrN3O4S
- Average molar mass
- 426.3 g/mol
- Monoisotopic mass
- 425.00449
Names & identifiers
- Preferred name
- Benzyl [1-(5-bromopyridine-3-sulfonyl)azetidin-3-yl]carbamate
- IUPAC
- benzyl N-[1-[(5-bromo-3-pyridinyl)sulfonyl]azetidin-3-yl]carbamate
Names & synonyms
1244060-06-7SCHEMBL13188881DTXSID901149666DB-170650Benzyl [1-(5-bromopyridine-3-sulfonyl)azetidin-3-yl]carbamateBenzyl (1-((5-bromopyridin-3-yl)sulfonyl)azetidin-3-yl)carbamatePhenylmethyl N-[1-[(5-bromo-3-pyridinyl)sulfonyl]-3-azetidinyl]carbamate
Database identifiers
- CAS
1244060-06-7- PubChem CID
- 70853545
- DTXSID
DTXSID901149666
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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