Basic information
- CAS
5433-39-6- Standard SMILES
O=C(NNS(=O)(=O)c1ccccc1)c1cccnc1- InChIKey
LJMCUUNDKMWSJZ-UHFFFAOYSA-N- Molecular formula
- C12H11N3O3S
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.05211239
Names & identifiers
- Preferred name
- N'-Benzenesulphono-N-nicotinohydrazide
- IUPAC
- N'-(benzenesulfonyl)pyridine-3-carbohydrazide
Names & synonyms
5433-39-6N'-Benzenesulphono-N-nicotinohydrazideNSC 10782N'-NicotinoylbenzenesulfonohydrazideN'-(benzenesulfonyl)pyridine-3-carbohydrazideNSC13150EINECS 226-594-3NSC 13150NSC-13150NSC10782NSC-10782N'-(3-pyridinylcarbonyl)benzenesulfonohydrazide
Show more names
3-Pyridinecarboxylic acid, 2-(phenylsulfonyl)hydrazideBAS 00474454N'-BENZENESULFONO-N-NICOTINOHYDRAZIDES4NUS38DHANCIStruc1_000240NCIStruc2_000272MLS000715087SCHEMBL5358352
Database identifiers
- CAS
5433-39-6- PubChem CID
- 73099
- DTXSID
DTXSID60202700- ChEMBL
CHEMBL1358666- UNII
- S4NUS38DHA
- EC Number
- 226-594-3
- Nikkaji
- J218.021I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Experimental & physicochemical properties
Solubility28.2 [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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