Basic information
- Standard SMILES
CC(C)(C)S(=O)(=O)Nc1ccc(C2CCCCC2)cc1C(=O)O- InChIKey
XTXKNBAWULJXRS-UHFFFAOYSA-N- Molecular formula
- C17H25NO4S
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.15042945
Names & identifiers
- Preferred name
- 2-(t-Butylsulfonamido)-5-Cyclohexylbenzoic Acid
- IUPAC
- 2-(tert-butylsulfonylamino)-5-cyclohexylbenzoic acid
Names & synonyms
SCHEMBL9326592XTXKNBAWULJXRS-UHFFFAOYSA-N2-(t-Butylsulfonamido)-5-Cyclohexylbenzoic Acid
Database identifiers
- PubChem CID
- 21297024
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 512
Related reactions
1 records
Compound notes
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