Basic information
- CAS
113296-13-2- Standard SMILES
CS(=O)(=O)N(Cc1cccnc1)c1ccc(F)cc1F- InChIKey
UPAMTXZAAYPTKS-UHFFFAOYSA-N- Molecular formula
- C13H12F2N2O2S
- Average molar mass
- 298.31 g/mol
- Monoisotopic mass
- 298.05875506
Names & identifiers
- Preferred name
- Methanesulfonamide, N-(2,4-difluorophenyl)-N-(3-pyridinylmethyl)-
- IUPAC
- N-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
Names & synonyms
Methanesulfonamide, N-(2,4-difluorophenyl)-N-(3-pyridinylmethyl)-113296-13-2DTXSID7073804RefChem:352218DTXCID6033324N-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamideSCHEMBL10558022UPAMTXZAAYPTKS-UHFFFAOYSA-NN-(2,4-Difluorophenyl)-N-[(pyridin-3-yl)methyl]methanesulfonamide
Database identifiers
- CAS
113296-13-2- PubChem CID
- 188740
- DTXSID
DTXSID7073804
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 413
Related reactions
2 records
Compound notes
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