Basic information
- Standard SMILES
CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3ncc(CO)c3C(F)(F)F)cc2C1- InChIKey
IBIPTSGOBSUSDD-INIZCTEOSA-N- Molecular formula
- C18H22F3N3O3S
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.13339723
Names & identifiers
- Preferred name
- (S)-N-(5-((4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
- IUPAC
- N-[(2S)-5-[[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
Names & synonyms
CHEMBL1642158SCHEMBL1590873BDBM50417577(S)-N-(5-((4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamideN-[(2S)-5-[[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
Database identifiers
- PubChem CID
- 44555729
- ChEMBL
CHEMBL1642158
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 638
Related reactions
1 records
Compound notes
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