Basic information
- Standard SMILES
Cc1cc(NSc2ccccc2[N+](=O)[O-])ccc1Oc1ncc(Cl)cn1- InChIKey
LDUBJZHIDJWMSI-UHFFFAOYSA-N- Molecular formula
- C17H13ClN4O3S
- Average molar mass
- 388.8 g/mol
Names & identifiers
- Preferred name
- N-[4-(5-chloro-2-pyrimidinyloxy)-3-methylphenyl]-2-nitrobenzenesulfenamide
- IUPAC
- 4-(5-chloropyrimidin-2-yl)oxy-3-methyl-N-(2-nitrophenyl)sulfanylaniline
Names & synonyms
SCHEMBL9770723LDUBJZHIDJWMSI-UHFFFAOYSA-NN-[4-(5-chloro-2-pyrimidinyloxy)-3-methylphenyl]-2-nitrobenzenesulfenamide
Database identifiers
- PubChem CID
- 10000368
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 462
Related reactions
2 records
Compound notes
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