Mavacoxib

C₁₆H₁₁F₄N₃O₂SCAS 170569-88-7385.34 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Sulfonamide

Properties

Molecular formula: C₁₆H₁₁F₄N₃O₂S
Molar mass: 385.34 g/mol
Exact mass: 385.0508 Da
logP: 3.34Crippen estimate
Polar surface area: 78.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H361 Suspected of damaging fertility or the unborn child100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P273, P280, P318, P319, P405, P501

Identifiers

CAS number

170569-88-7

SMILES

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1

InChIKey

TTZNQDOUNXBMJV-UHFFFAOYSA-N

InChI

InChI=1S/C16H11F4N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Benzenesulfonamide, 4-[5-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-
4-[5-(4-Fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
4-[5-(4-Fluorophenyl)-3-trifluoromethyl-1H-pyrazol-1-yl]benzenesulfonamide
PHA 739521
Trocoxil

Work with Mavacoxib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Celecoxib169590-42-578 % similar 4-Fluorobenzenesulfonamide402-46-049 % similar Deracoxib169590-41-444 % similar 4-(Trifluoromethyl)benzenesulfonamide830-43-343 % similar 2-Amino-N-(4-(5-(2-phenanthrenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)acetamide742112-33-041 % similar Carbonic anhydrase ix/xii inhibitor ii(U-104)178606-66-139 % similar 4-Bromo-3-(trifluoromethyl)benzenesulfonamide351003-64-037 % similar 3-Fluorobenzenesulfonamide1524-40-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook