Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1cccc(NS(=O)(=O)c2cccnc2)c1- InChIKey
YCPVOTWPYXGZNW-UHFFFAOYSA-N- Molecular formula
- C16H18N2O4S
- Average molar mass
- 334.4 g/mol
Names & identifiers
- Preferred name
- 3-(Pyridine-3-sulfonylamino)-benzoic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(pyridin-3-ylsulfonylamino)benzoate
Names & synonyms
SCHEMBL2189203YCPVOTWPYXGZNW-UHFFFAOYSA-N3-(Pyridine-3-sulfonylamino)-benzoic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67310872
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 507
Related reactions
5 records
Compound notes
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