4-(Methylsulfonyl)cinnoline
Basic information
- CAS
17341-78-5- Standard SMILES
CS(=O)(=O)c1cnnc2ccccc12- InChIKey
SDJYJJTXZRSQOE-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.03064868
Names & identifiers
- Preferred name
- 4-(Methylsulfonyl)cinnoline
- IUPAC
- 4-methylsulfonylcinnoline
Names & synonyms
4-(Methylsulfonyl)cinnoline17341-78-5NSC 158308DTXSID70169613RefChem:289199DTXCID60921044-methylsulfonylcinnolineNSC158308NSC-1583084-Cinnolinyl methyl sulfoneKFF3V9XAH94-(Methanesulfonyl)cinnoline
Show more names
Cinnoline, 4-(methylsulfonyl)-SCHEMBL10734959
Database identifiers
- CAS
17341-78-5- PubChem CID
- 292500
- DTXSID
DTXSID70169613- UNII
- KFF3V9XAH9
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 296
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Related reactions
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Compound notes
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