chempirical

2,4-Dichloro-7-tosyl-7H-pyrrolo[2,3-D]pyrimidine

C13H9Cl2N3O2SCAS 934524-10-4342.19 g/mol

Open in Covalent MOL file
SOONNNClCl
Aryl halide

Properties

Molecular formula
C13H9Cl2N3O2S
Molar mass
342.19 g/mol
Exact mass
340.9793 Da
logP
3.28Crippen estimate
Polar surface area
64.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
934524-10-4
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=C(N=C3Cl)Cl
InChIKey
DTDGVNQSPAWHTH-UHFFFAOYSA-N
InChI
InChI=1S/C13H9Cl2N3O2S/c1-8-2-4-9(5-3-8)21(19,20)18-7-6-10-11(14)16-13(15)17-12(10)18/h2-7H,1H3

Weigh it out

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Work with 2,4-Dichloro-7-tosyl-7H-pyrrolo[2,3-D]pyrimidine

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

4-Chloro-7-(p-toluenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine479633-63-170 % similar 4-Bromo-1-tosyl-1H-pyrrolo[2,3-b]pyridine348640-07-353 % similar N-Tosyl-5-bromo-4,7-diazaindole1201186-54-049 % similar 1-Tosylpyrrole17639-64-442 % similar N-Tosyl-4-chloro-3-iodo-7-azaindole869335-20-641 % similar 1-(p-Toluenesulfonyl)imidazole2232-08-841 % similar tert-Butyl 5-tosyl-5H-pyrrolo[2,3-B]pyrazin-2-ylcarbamate1201187-44-139 % similar Carbamic acid, N-[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-, ethyl ester1869118-24-039 % similar

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

Elsewhere

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