Basic information
- Standard SMILES
Cc1cc(NC(=O)Nc2ccc(Cl)c(S(N)(=O)=O)c2O)n(C)n1- InChIKey
WYMMZOJONYUXBY-UHFFFAOYSA-N- Molecular formula
- C12H14ClN5O4S
- Average molar mass
- 359.79 g/mol
- Monoisotopic mass
- 359.0455028
Names & identifiers
- Preferred name
- N-(3-aminosulfonyl-4-chloro-2-hydroxyphenyl)-N'-(1,3-dimethylpyrazol-5-yl)urea
- IUPAC
- 1-(4-chloro-2-hydroxy-3-sulfamoylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
Names & synonyms
SCHEMBL5231063WYMMZOJONYUXBY-UHFFFAOYSA-NN-(3-aminosulfonyl-4-chloro-2-hydroxyphenyl)-N'-(1,3-dimethylpyrazol-5-yl)urea
Database identifiers
- PubChem CID
- 10291982
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 542
Related reactions
1 records
Compound notes
Loading…