N-[({2-[4-(3,5-Dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethyl}amino) carbonyl]-1,3-benzenedisulfonamide
Basic information
- Standard SMILES
Cc1nn(-c2ccc(CCNC(=O)NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2)c(C)c1-c1ccccc1- InChIKey
YEJHRHFCZDWIFJ-UHFFFAOYSA-N- Molecular formula
- C26H27N5O5S2
- Average molar mass
- 553.7 g/mol
- Monoisotopic mass
- 553.14536133
Names & identifiers
- Preferred name
- N-[({2-[4-(3,5-Dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethyl}amino) carbonyl]-1,3-benzenedisulfonamide
- IUPAC
- 1-[2-[4-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]ethyl]-3-(3-sulfamoylphenyl)sulfonylurea
Names & synonyms
SCHEMBL6095094YEJHRHFCZDWIFJ-UHFFFAOYSA-NN-[({2-[4-(3,5-Dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethyl}amino) carbonyl]-1,3-benzenedisulfonamide
Database identifiers
- PubChem CID
- 22244643
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 998
Related reactions
2 records
Compound notes
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