Basic information
- Standard SMILES
NS(=O)(=O)c1ccc(NC2CCN(CC(F)F)CC2)c([N+](=O)[O-])c1- InChIKey
OQUZZXQYDQJUEN-UHFFFAOYSA-N- Molecular formula
- C13H18F2N4O4S
- Average molar mass
- 364.37 g/mol
- Monoisotopic mass
- 364.10168257
Names & identifiers
- Preferred name
- 4-(1-(2,2-Difluoroethyl)piperidin-4-ylamino)-3-nitrobenzenesulfonamide
- IUPAC
- 4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-3-nitrobenzenesulfonamide
Names & synonyms
4-(1-(2,2-difluoroethyl)piperidin-4-ylamino)-3-nitrobenzenesulfonamideSCHEMBL1811645
Database identifiers
- PubChem CID
- 48934007
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 529
Related reactions
6 records
Compound notes
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