Basic information
- CAS
847773-84-6- Standard SMILES
O=S(=O)(NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1F- InChIKey
QMYHGWDJTXAPOF-UHFFFAOYSA-N- Molecular formula
- C12H7ClF5N3O2S
- Average molar mass
- 387.71 g/mol
- Monoisotopic mass
- 386.9867662
Names & identifiers
- Preferred name
- N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,4-difluorobenzenesulfonohydrazide
- IUPAC
- N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,4-difluorobenzenesulfonohydrazide
Names & synonyms
N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,4-difluorobenzenesulfonohydrazideMLS002249107CHEMBL1476893DTXSID901326818HMS3050J18AKOS034375130847773-84-6SMR001316556SR-01000071462SR-01000071462-1Z45707268N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,4-difluorobenzene-1-sulfonohydrazide
Database identifiers
- CAS
847773-84-6- PubChem CID
- 4851243
- DTXSID
DTXSID901326818- ChEMBL
CHEMBL1476893
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 530
Experimental & physicochemical properties
Solubility5.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…