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Basic information
- Standard SMILES
Cn1nc(OCCOc2ncc(Cl)cn2)c(-c2ccc3c(c2)OCO3)c1N(S(C)(=O)=O)S(C)(=O)=O- InChIKey
CNCJJFYACPASLH-UHFFFAOYSA-N- Molecular formula
- C19H20ClN5O8S2
- Average molar mass
- 546 g/mol
- Monoisotopic mass
- 545.0441827
Names & identifiers
- Preferred name
- N-(4-(1,3-benzodioxol-5-yl)-3-{2-[(5-chloro-2-pyrimidinyl)oxy]ethoxy}-1-methyl-1H-pyrazol-5-yl)-N-(methylsulfonyl)methanesulfonamide
- IUPAC
- N-[4-(1,3-benzodioxol-5-yl)-3-[2-(5-chloropyrimidin-2-yl)oxyethoxy]-1-methylpyrazol-5-yl]-N-methylsulfonylmethanesulfonamide
Names & synonyms
SCHEMBL6289667CNCJJFYACPASLH-UHFFFAOYSA-NN-(4-(1,3-benzodioxol-5-yl)-3-{2-[(5-chloro-2-pyrimidinyl)oxy]ethoxy}-1-methyl-1H-pyrazol-5-yl)-N-(methylsulfonyl)methane sulfonamideN-(4-(1,3-benzodioxol-5-yl)-3-{2-[(5-chloro-2-pyrimidinyl)oxy]ethoxy}-1-methyl-1H-pyrazol-5-yl)-N-(methylsulfonyl)methanesulfonamide
Database identifiers
- PubChem CID
- 22281925
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 893
Related reactions
4 records
Compound notes
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