Basic information
- CAS
327999-45-1- Standard SMILES
CSc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cn2)c1- InChIKey
RUDWVHZJOOQLSP-UHFFFAOYSA-N- Molecular formula
- C13H10Cl2N2OS
- Average molar mass
- 313.2 g/mol
- Monoisotopic mass
- 311.9890895
Names & identifiers
- Preferred name
- 2-chloro-N-(5-chloropyridin-2-yl)-5-methylsulfanylbenzamide
- IUPAC
- 2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide
Names & synonyms
2-chloro-N-(5-chloropyridin-2-yl)-5-(methylsulfanyl)benzamide2-chloro-N-(5-chloropyridin-2-yl)-5-methylsulfanylbenzamide327999-45-1CBMicro_043316Cambridge id 6062671MLS000706436CHEMBL1333033DTXSID001329853HMS2729J08STK733396AKOS000597831SMR000288488
Show more names
BIM-0043479.P001EU-0051034ST50275864SR-01000510939SR-01000510939-12-chloro-N-(5-chloropyridin-2-yl)-5-(methylthio)benzamide2-chloro-N-(5-chloro-2-pyridinyl)-5-methylsulfanylbenzamide
Database identifiers
- CAS
327999-45-1- PubChem CID
- 690117
- DTXSID
DTXSID001329853- ChEMBL
CHEMBL1333033
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Experimental & physicochemical properties
Solubility0.5 [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…