Basic information
- CAS
37105-07-0- Standard SMILES
NS(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1- InChIKey
ZUUFZCASOATXJR-UHFFFAOYSA-N- Molecular formula
- C12H10F3N3O2S
- Average molar mass
- 317.29 g/mol
- Monoisotopic mass
- 317.04458223
Names & identifiers
- Preferred name
- 6-[3-(Trifluoromethyl)anilino]pyridine-3-sulfonamide
- IUPAC
- 6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
- English name
- 6-[[3-(Trifluoromethyl)phenyl]amino]-3-pyridinesulfonamide
- Molecular formula
- C12H10F3N3O2S
- Molecular weight
- 317.29
Names & synonyms
37105-07-06-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamideCHEMBL15442696-[3-(trifluoromethyl)anilino]-3-pyridinesulfonamide3-Pyridinesulfonamide,6-[[3-(trifluoromethyl)phenyl]amino]-MLS000540165ZUUFZCASOATXJR-UHFFFAOYSA-NDTXSID90358547HMS2292E04BDBM50664562SMR000162112DB-263768
Show more names
3-Pyridinesulfonamide, 6-[[3-(trifluoromethyl)phenyl]amino]-
AJ-333/250062346-[[3-(Trifluoromethyl)phenyl ]amino]-3-pyridinesulfonamide
Database identifiers
- CAS
37105-07-0- PubChem CID
- 902005
- DTXSID
DTXSID90358547- ChEMBL
CHEMBL1544269
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Boiling point
- 447.4 · 447.4±55.0 °C(Predicted)
- Density
- 1.502 · 1.502±0.06 g/cm3(Predicted)
- pka
- 9.42 · 9.42±0.60(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
Service Chemical Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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