N-[3-[(5-Chloro-1H-pyrrolo[2,3-B]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide

C₁₇H₁₄ClF₂N₃O₃SCAS 918505-84-7413.82 g/mol

Open in Covalent MOL file

Aryl halide Ketone Sulfonamide

Properties

Molecular formula: C₁₇H₁₄ClF₂N₃O₃S
Molar mass: 413.82 g/mol
Exact mass: 413.0412 Da
logP: 3.88Crippen estimate
Polar surface area: 91.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6

Identifiers

CAS number

918505-84-7

SMILES

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

InChIKey

YZDJQTHVDDOVHR-UHFFFAOYSA-N

InChI

InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)

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Names and synonyms

2 names

1-Propanesulfonamide, N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-
PLX 4720

Work with N-[3-[(5-Chloro-1H-pyrrolo[2,3-B]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide

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

Vemurafenib1029872-54-587 % similar Vemurafenib918504-65-187 % similar 2,6-Difluoro-3-[(propylsulfonyl)amino]benzoic acid1103234-56-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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