Basic information
- Standard SMILES
COC(=O)c1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)n(-c2ccccc2Cl)n1- InChIKey
RHNUHGWMJSVBAI-UHFFFAOYSA-N- Molecular formula
- C20H17ClN4O6S
- Average molar mass
- 476.9 g/mol
Names & identifiers
- Preferred name
- methyl 1-(2-chlorophenyl)-5-(2-(3-(methylsulfonyl)benzoyl) hydrazinecarbonyl)-1H-pyrazole-3-carboxylate
- IUPAC
- methyl 1-(2-chlorophenyl)-5-[[(3-methylsulfonylbenzoyl)amino]carbamoyl]pyrazole-3-carboxylate
Names & synonyms
SCHEMBL15229877RHNUHGWMJSVBAI-UHFFFAOYSA-Nmethyl 1-(2-chlorophenyl)-5-(2-(3-(methylsulfonyl)benzoyl) hydrazinecarbonyl)-1H-pyrazole-3-carboxylatemethyl 1-(2-chlorophenyl)-5-(2-(3-(methylsulfonyl)benzoyl) hydrazinocarbonyl)-1H-pyrazole-3-carboxylatemethyl 1-(2-chlorophenyl)-5-(2-(3-(methylsulfonyl)benzoyl)hydrazinecarbonyl)-1H-pyrazole-3-carboxylate
Database identifiers
- PubChem CID
- 89782853
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 819
Related reactions
1 records
Compound notes
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