Basic information
- Standard SMILES
CC(C)(O)C#Cc1ccc(CCS(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1- InChIKey
GMMAYPWTUNISFR-UHFFFAOYSA-N- Molecular formula
- C19H22N2O5S2
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.09701415
Names & identifiers
- Preferred name
- 2-(2-(4-(3-Hydroxy-3-methylbut-1-ynyl)phenyl)ethylsulfonamido)benzenesulfonamide
- IUPAC
- 2-[2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]ethylsulfonylamino]benzenesulfonamide
Names & synonyms
SCHEMBL3783331CHEMBL3969497GMMAYPWTUNISFR-UHFFFAOYSA-NBDBM181981US9145380, 1842-(2-(4-(3-Hydroxy-3-methylbut-1-ynyl)phenyl)ethylsulfonamido)benzenesulfonamide
Database identifiers
- PubChem CID
- 57750983
- ChEMBL
CHEMBL3969497
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 789
Related reactions
1 records
Compound notes
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