Basic information
- Standard SMILES
CCCCS(=O)(=O)NC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1- InChIKey
IXGWKSRLQQQKDP-UHFFFAOYSA-N- Molecular formula
- C17H21N3O3S
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.13036271
Names & identifiers
- Preferred name
- 2-n-butylsulfonylamino-5-[pyridazin-3(2H)-on-6-yl]indane
- IUPAC
- N-[5-(6-oxo-1H-pyridazin-3-yl)-2,3-dihydro-1H-inden-2-yl]butane-1-sulfonamide
Names & synonyms
SCHEMBL8302585IXGWKSRLQQQKDP-UHFFFAOYSA-N2-n-butylsulfonylamino-5-[pyridazin-3(2H)-on-6-yl]indane2-n-butylsulfonylamino-5-[pyridazin-3(2H)-on-6-yl]-indane
Database identifiers
- PubChem CID
- 18929802
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 636
Related reactions
5 records
Compound notes
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