Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1- InChIKey
ZHOGHVKKTOPFMY-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO5S
- Average molar mass
- 395.9 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-[(4-chlorophenyl)sulfonylaminocarbonyl]benzoate
- IUPAC
- tert-butyl 4-[(4-chlorophenyl)sulfonylcarbamoyl]benzoate
Names & synonyms
SCHEMBL7287137ZHOGHVKKTOPFMY-UHFFFAOYSA-N1,1-Dimethylethyl 4-[(4-chlorophenyl)sulfonylaminocarbonyl]benzoate
Database identifiers
- PubChem CID
- 54547507
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 606
Related reactions
9 records
Compound notes
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