2-[2-(4-Cyclopentylethynyl-phenyl)-ethanesulfonylamino]-5-hydroxymethyl-benzenesulfonamide
Basic information
- Standard SMILES
NS(=O)(=O)c1cc(CO)ccc1NS(=O)(=O)CCc1ccc(C#CC2CCCC2)cc1- InChIKey
RTLWKJXLJUKQCS-UHFFFAOYSA-N- Molecular formula
- C22H26N2O5S2
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 462.12831428
Names & identifiers
- Preferred name
- 2-[2-(4-Cyclopentylethynyl-phenyl)-ethanesulfonylamino]-5-hydroxymethyl-benzenesulfonamide
- IUPAC
- 2-[2-[4-(2-cyclopentylethynyl)phenyl]ethylsulfonylamino]-5-(hydroxymethyl)benzenesulfonamide
Names & synonyms
SCHEMBL3782521CHEMBL3961959RTLWKJXLJUKQCS-UHFFFAOYSA-NBDBM182009US9145380, 2122-[2-(4-Cyclopentylethynyl-phenyl)-ethanesulfonylamino]-5-hydroxymethyl-benzenesulfonamide
Database identifiers
- PubChem CID
- 57750946
- ChEMBL
CHEMBL3961959
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 849
Related reactions
1 records
Compound notes
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