4-methyl-N'-[(3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzenesulfonohydrazide
Basic information
- CAS
28558-62-5- Standard SMILES
Cc1ccc(S(=O)(=O)N=Nc2c(O)[nH]c3ccccc23)cc1- InChIKey
VSSQXOURQLCLKF-UHFFFAOYSA-N- Molecular formula
- C15H13N3O3S
- Average molar mass
- 315.3 g/mol
- Monoisotopic mass
- 315.06776246
Names & identifiers
- Preferred name
- 4-methyl-N'-[(3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzenesulfonohydrazide
- IUPAC
- N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzenesulfonamide
Names & synonyms
28558-62-54-methyl-N'-[(3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzenesulfonohydrazideST501831114-methyl-N'-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)benzenesulfonohydrazideNSC39529Isatin-3-tosylhydrazoneMLS000068551CHEMBL1399597CHEMBL4290305SCHEMBL11546068DTXSID30417980QZUADMFOBRQYDP-UHFFFAOYSA-N
Show more names
HMS2379I14isatin-3-p-toluenesulfonylhydrazoneNSC-39529STK391818AKOS000534630AKOS002939706AKOS030747205SMR000122930
Database identifiers
- CAS
28558-62-5- PubChem CID
- 236715
- DTXSID
DTXSID30417980- ChEMBL
CHEMBL1399597、CHEMBL4290305
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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