N-(2-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl)acetamide
Basic information
- CAS
24032-65-3- Standard SMILES
CC(=O)NCCS(=O)(=O)c1ccc(N2CCC=N2)cc1-c1ccc(Cl)cc1- InChIKey
RYOHAUCSSQHZAR-UHFFFAOYSA-N- Molecular formula
- C19H20ClN3O3S
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.0913904
Names & identifiers
- Preferred name
- N-(2-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl)acetamide
- IUPAC
- N-[2-[2-(4-chlorophenyl)-4-(3,4-dihydropyrazol-2-yl)phenyl]sulfonylethyl]acetamide
Names & synonyms
N-(2-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl)acetamideN-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethyl]acetamideEINECS 245-995-4DTXSID30865129Acetamide, N-(2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)ethyl)-N-{2-[4'-Chloro-5-(4,5-dihydro-1H-pyrazol-1-yl)[1,1'-biphenyl]-2-sulfonyl]ethyl}acetamide
Database identifiers
- CAS
24032-65-3- PubChem CID
- 90349
- DTXSID
DTXSID30865129
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 641
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