Basic information
- CAS
37049-67-5- Standard SMILES
O=C(NNS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1- InChIKey
FHRZAFDZJZEAEB-UHFFFAOYSA-N- Molecular formula
- C13H11N3O5S
- Average molar mass
- 321.31 g/mol
- Monoisotopic mass
- 321.04194163
Names & identifiers
- Preferred name
- N'-(benzenesulfonyl)-4-nitrobenzohydrazide
- IUPAC
- N'-(benzenesulfonyl)-4-nitrobenzohydrazide
- English name
- N-(benzenesulfonyl)-4-nitro-benzohydrazide
- Molecular formula
- C13H11N3O5S
- Molecular weight
- 321.31
Names & synonyms
NSC61886N'-(benzenesulfonyl)-4-nitrobenzohydrazide37049-67-54-nitro-N'-(phenylsulfonyl)benzohydrazideNCIOpen2_007796MLS001204711CHEMBL1471822HMS2838P10NSC-61886STL199758AKOS000668905SMR000513656
Show more names
N-(benzenesulfonyl)-4-nitro-benzohydrazide
ST010904N'-(benzenesulfonyl)-4-nitro-benzohydrazideN'-(4-NITROBENZOYL)BENZENESULFONOHYDRAZIDESR-01000360004SR-01000360004-1(4-nitrophenyl)-N-[(phenylsulfonyl)amino]carboxamide
Database identifiers
- CAS
37049-67-5- PubChem CID
- 3102012
- ChEMBL
CHEMBL1471822
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 497
Experimental & physicochemical properties
Solubility21.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 201 · 201-202 °C
- Density
- 1.46 · 1.460±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.2 · 7.200±0.25(predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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