Basic information
- Standard SMILES
COc1nn(C)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1-c1ccc2c(c1)OCO2- InChIKey
GDEOZKUHRBDBRW-UHFFFAOYSA-N- Molecular formula
- C21H23N3O5S
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.13584202
Names & identifiers
- Preferred name
- N-[4-(1,3-benzodioxol-5-yl)-3-methoxy-1-methyl-1H-pyrazol-5-yl]-4-isopropylbenzenesulfonamide
- IUPAC
- N-[4-(1,3-benzodioxol-5-yl)-3-methoxy-1-methylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide
Names & synonyms
SCHEMBL6289638GDEOZKUHRBDBRW-UHFFFAOYSA-NN-[4-(1,3-benzodioxol-5-yl)-3-methoxy-1-methyl-1H-pyrazol-5-yl]-4-isopropylbenzenesulfonamide
Database identifiers
- PubChem CID
- 22281973
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 677
Related reactions
2 records
Compound notes
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