3-Pyrazoline-4-sulfonamide, N,N-diethyl-2,3-dimethyl-5-oxo-1-phenyl-
Basic information
- CAS
4684-90-6- Standard SMILES
CCN(CC)S(=O)(=O)c1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
WECUVXSFXITMLG-UHFFFAOYSA-N- Molecular formula
- C15H21N3O3S
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.13036271
Names & identifiers
- Preferred name
- 3-Pyrazoline-4-sulfonamide, N,N-diethyl-2,3-dimethyl-5-oxo-1-phenyl-
- IUPAC
- N,N-diethyl-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-sulfonamide
Names & synonyms
BRN 03054283-Pyrazoline-4-sulfonamide, N,N-diethyl-2,3-dimethyl-5-oxo-1-phenyl-4684-90-6DTXSID20196959N,N-Diethyl-2,3-dimethyl-5-oxo-1-phenyl-3-pyrazoline-4-sulfonamide4-25-00-01962 (Beilstein Handbook Reference)RefChem:281990DTXCID10119450N,N-Diethyl-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-sulfonamide
Database identifiers
- CAS
4684-90-6- PubChem CID
- 199659
- DTXSID
DTXSID20196959
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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