4-[3-(Trifluoromethyl)anilino]-3-pyridinesulfonic acid
Basic information
- CAS
33263-48-8- Standard SMILES
O=S(=O)(O)c1cnccc1Nc1cccc(C(F)(F)F)c1- InChIKey
FPVYSCWBQXMSMQ-UHFFFAOYSA-N- Molecular formula
- C12H9F3N2O3S
- Average molar mass
- 318.27 g/mol
- Monoisotopic mass
- 318.02859781
Names & identifiers
- Preferred name
- 4-[3-(Trifluoromethyl)anilino]-3-pyridinesulfonic acid
- IUPAC
- 4-[3-(trifluoromethyl)anilino]pyridine-3-sulfonic acid
Names & synonyms
33263-48-84-[3-(trifluoromethyl)anilino]-3-pyridinesulfonic acidAJ-333/092170344-[3-(trifluoromethyl)anilino]pyridine-3-sulfonic acid4-((3-(Trifluoromethyl)phenyl)amino)pyridine-3-sulfonic acidFPVYSCWBQXMSMQ-UHFFFAOYSA-NMLS001180826CHEMBL1863694DTXSID10364882HMS2795C133-Pyridinesulfonicacid, 4-[[3-(trifluoromethyl)phenyl]amino]-SMR000476505
Show more names
AJ-333/36118057
Database identifiers
- CAS
33263-48-8- PubChem CID
- 1713837
- DTXSID
DTXSID10364882- ChEMBL
CHEMBL1863694
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 450
Experimental & physicochemical properties
Solubility>47.7 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…