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C19H14Cl2N2O3SCAS 879085-55-9421.29 g/mol

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SOOOHNClNCl
Aryl halideSulfone

Properties

Molecular formula
C19H14Cl2N2O3S
Molar mass
421.29 g/mol
Exact mass
420.0102 Da
logP
5.10Crippen estimate
Polar surface area
79.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
879085-55-9
SMILES
CS(=O)(=O)c1ccc(C(O)=Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIKey
BPQMGSKTAYIVFO-UHFFFAOYSA-N
InChI
InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)

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Names and synonyms

4 names
  • Erivedge
  • Benzamide, 2-chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)-
  • 2-Chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)benzamide
  • GDC 0449

Work with Vismodegib

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

2-Chloro-4-(methylsulfonyl)benzoic acid53250-83-246 % similar 4-Chloro-3-(2-pyridinyl)benzenamine879088-41-240 % similar 2-Chloro-4-(methylsulfonyl)benzenamine13244-35-436 % similar Sulcotrione99105-77-836 % similar 1-Chloro-4-(methylsulfonyl)-2-nitrobenzene97-07-433 % similar 2-Chloro-5-nitrobenzanilide22978-25-232 % similar 4-(Methylsulfonyl)-2-nitrobenzoic acid110964-79-931 % similar 2-Chlorobenzoic acid hydrazide5814-05-131 % similar

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

Elsewhere

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