Basic information
- Standard SMILES
COc1cccc(S(=O)(=O)NC(=O)NCCc2ccc(-n3nc(C)c(-c4ccccc4)c3C)cc2)c1- InChIKey
LJFBRXNWNBJANT-UHFFFAOYSA-N- Molecular formula
- C27H28N4O4S
- Average molar mass
- 504.6 g/mol
Names & identifiers
- Preferred name
- N-[({2-[4-(3,5-Dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethyl}amino)carbonyl]-3-methoxybenzenesulfonamide
- IUPAC
- 1-[2-[4-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]ethyl]-3-(3-methoxyphenyl)sulfonylurea
Names & synonyms
SCHEMBL6098320LJFBRXNWNBJANT-UHFFFAOYSA-NN-[({2-[4-(3,5-Dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethyl}amino)carbonyl]-3-methoxybenzenesulfonamide
Database identifiers
- PubChem CID
- 22244604
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 805
Related reactions
2 records
Compound notes
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