Basic information
- Standard SMILES
CC(C)(C)OC(=O)COc1cccc(CNS(=O)(=O)c2cccnc2)c1- InChIKey
SZOLAEVJEUIHQX-UHFFFAOYSA-N- Molecular formula
- C18H22N2O5S
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.12494298
Names & identifiers
- Preferred name
- {3-[(Pyridine-3-sulfonylamino)-methyl]-phenoxy}-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[3-[(pyridin-3-ylsulfonylamino)methyl]phenoxy]acetate
Names & synonyms
SCHEMBL6278434SZOLAEVJEUIHQX-UHFFFAOYSA-N{3-[(Pyridine-3-sulfonylamino)-methyl]-phenoxy}-acetic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69730626
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 553
Related reactions
6 records
Compound notes
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