2-methyl-N'-(4-methylphenyl)sulfonylfuran-3-carbohydrazide
Basic information
- CAS
356769-72-7- Standard SMILES
Cc1ccc(S(=O)(=O)NNC(=O)c2ccoc2C)cc1- InChIKey
QCNKEFJIYGAKOV-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4S
- Average molar mass
- 294.33 g/mol
- Monoisotopic mass
- 294.06742811
Names & identifiers
- Preferred name
- 2-methyl-N'-(4-methylphenyl)sulfonylfuran-3-carbohydrazide
- IUPAC
- 2-methyl-N'-(4-methylphenyl)sulfonylfuran-3-carbohydrazide
Names & synonyms
2-methyl-N'-(4-methylphenyl)sulfonylfuran-3-carbohydrazideZINC435531356769-72-7ZINC00435531CBMicro_000430MLS000777969CHEMBL1893134DTXSID601323227HMS2747B07SMSF0007777MFCD02209482STK001416
Show more names
AKOS003416255CB01984SMR000414363BIM-0000616.P001ZINC000000435531Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1ccoc1CAB00096813-01SR-01000219779
Database identifiers
- CAS
356769-72-7- PubChem CID
- 870065
- DTXSID
DTXSID601323227- ChEMBL
CHEMBL1893134
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 438
Experimental & physicochemical properties
Solubility8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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