5-nitro-2-propan-2-ylsulfanyl-N-pyridin-4-ylbenzamide
Basic information
- CAS
675104-79-7- Standard SMILES
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccncc1- InChIKey
OBWYUBJWSVJUEQ-UHFFFAOYSA-N- Molecular formula
- C15H15N3O3S
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.08341252
Names & identifiers
- Preferred name
- 5-nitro-2-propan-2-ylsulfanyl-N-pyridin-4-ylbenzamide
- IUPAC
- 5-nitro-2-propan-2-ylsulfanyl-N-pyridin-4-ylbenzamide
Names & synonyms
5-nitro-2-propan-2-ylsulfanyl-N-pyridin-4-ylbenzamideOprea1_066769MLS000851440CHEMBL1546831DTXSID201330189HMS2803D15AKOS033449551CCG-242511675104-79-7SMR000457883N1-(4-pyridyl)-2-(isopropylthio)-5-nitrobenzamideZ1590640658
Show more names
5-Nitro-2-[(propan-2-yl)sulfanyl]-N-(pyridin-4-yl)benzamide
Database identifiers
- CAS
675104-79-7- PubChem CID
- 2807262
- DTXSID
DTXSID201330189- ChEMBL
CHEMBL1546831
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Experimental & physicochemical properties
Solubility40.8 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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