Benzenesulfonic acid, 4-(benzoylamino)-2-(2-(1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:1)
Basic information
- CAS
77847-15-5- Standard SMILES
CC1=NN(c2ccccc2Cl)C(=O)C1N=Nc1cc(NC(=O)c2ccccc2)ccc1S(=O)(=O)[O-].[Na+]- InChIKey
RVMZGOLDNFWOQS-UHFFFAOYSA-M- Molecular formula
- C23H17ClN5NaO5S
- Average molar mass
- 533.9 g/mol
- Monoisotopic mass
- 533.0536618
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-(benzoylamino)-2-(2-(1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:1)
- IUPAC
- sodium 4-benzamido-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonate
Names & synonyms
77847-15-5Benzenesulfonic acid, 4-(benzoylamino)-2-((1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, monosodium saltDTXSID00888527Benzenesulfonic acid, 4-(benzoylamino)-2-(2-(1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:1)Benzenesulfonic acid, 4-(benzoylamino)-2-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, monosodium saltBenzenesulfonic acid, 4-(benzoylamino)-2-[2-[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:1)RefChem:117977DTXCID301027804Sodium 4-benzamido-2-{[1-(2-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzene-1-sulfonate
Database identifiers
- CAS
77847-15-5- PubChem CID
- 44153197
- DTXSID
DTXSID00888527
Properties
Computed structural properties
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 968
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-(benzoylamino)-2-[2-[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:1): INACTIVE
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Compound notes
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