N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide
Basic information
- CAS
522626-10-4- Standard SMILES
Cc1ccccc1S(=O)(=O)NC(=NCc1ccc(F)cc1)c1ccccc1- InChIKey
JGACODNPPGVORG-UHFFFAOYSA-N- Molecular formula
- C21H19FN2O2S
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.11512719
Names & identifiers
- Preferred name
- N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide
- IUPAC
- N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide
Names & synonyms
N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamideMLS002252147CHEMBL1867937DTXSID201322772HMS3093J08AKOS034460640522626-10-4SMR001314495Z56845730N'-[(4-Fluorophenyl)methyl]-N-(2-methylbenzene-1-sulfonyl)benzenecarboximidamide
Database identifiers
- CAS
522626-10-4- PubChem CID
- 2364800
- DTXSID
DTXSID201322772- ChEMBL
CHEMBL1867937
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 588
Experimental & physicochemical properties
Solubility34.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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