Florasulam

C₁₂H₈F₃N₅O₃SCAS 145701-23-1359.28 g/mol

Open in Covalent MOL file

Aryl halide Ether Sulfonamide

Properties

Molecular formula: C₁₂H₈F₃N₅O₃S
Molar mass: 359.28 g/mol
Exact mass: 359.0300 Da
Density: 1.53 g/mL
pKa: 4.54
logP: 1.35Crippen estimate
Polar surface area: 98.5 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 4

Hazards

Warning

H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 178 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

145701-23-1

SMILES

COc1ncc(F)c2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12

InChIKey

QZXATCCPQKOEIH-UHFFFAOYSA-N

InChI

InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3

Weigh it out

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

Names and synonyms

6 names

[1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-
N-(2,6-Difluorophenyl)-8-fluoro-5-methoxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
Primus
Kantor
Primus SC
PrePass XC

Work with Florasulam

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

Flumetsulam98967-40-948 % similar Diclosulam145701-21-943 % similar Penoxsulam219714-96-238 % similar 3-Fluoro-2-methoxypyridine884494-69-330 % similar 1,3-Difluoro-2-methoxybenzene437-82-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook