N-(5-chloropyridin-2-yl)-4-ethylbenzenesulfonamide
Basic information
- CAS
339161-26-1- Standard SMILES
CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1- InChIKey
ILCCLCAKGUTEND-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2O2S
- Average molar mass
- 296.77 g/mol
- Monoisotopic mass
- 296.0386265
Names & identifiers
- Preferred name
- N-(5-chloropyridin-2-yl)-4-ethylbenzenesulfonamide
- IUPAC
- N-(5-chloro-2-pyridinyl)-4-ethylbenzenesulfonamide
Names & synonyms
N-(5-chloropyridin-2-yl)-4-ethylbenzenesulfonamide339161-26-1N-(5-CHLOROPYRIDIN-2-YL)-4-ETHYLBENZENE-1-SULFONAMIDECambridge id 6426925Oprea1_660290Oprea1_856749MLS001212929N-(5-Chloro-pyridin-2-yl)-4-ethyl-benzenesulfonamideCHEMBL1367458DTXSID801332921HMS2824B22STK747340
Show more names
AKOS000597471SMR000516912ST4004270ST50254050AB00107478-01AG-205/07934059SR-01000508312N-(5-chloro-2-pyridinyl)-4-ethylbenzenesulfonamide
Database identifiers
- CAS
339161-26-1- PubChem CID
- 689341
- DTXSID
DTXSID801332921- ChEMBL
CHEMBL1367458
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 375
Experimental & physicochemical properties
Solubility8.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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