4-Chloro-7-(p-toluenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine

C₁₃H₁₀ClN₃O₂SCAS 479633-63-1307.75 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₀ClN₃O₂S
Molar mass: 307.75 g/mol
Exact mass: 307.0182 Da
logP: 2.63Crippen estimate
Polar surface area: 64.8 Å²
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

479633-63-1

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=CN=C3Cl

InChIKey

BTOJSYRZQZOMOK-UHFFFAOYSA-N

InChI

InChI=1S/C13H10ClN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(14)15-8-16-13(11)17/h2-8H,1H3

Weigh it out

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Names and synonyms

1 names

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

Work with 4-Chloro-7-(p-toluenesulfonyl)-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-Bromo-1-tosyl-1H-pyrrolo[2,3-b]pyridine348640-07-359 % similar N-Tosyl-5-bromo-4,7-diazaindole1201186-54-049 % similar 4-Chloro-7-methyl-7H-pyrrolo[2,3-D]pyrimidine7781-10-447 % similar N-Tosyl-4-chloro-3-iodo-7-azaindole869335-20-644 % similar 4-Chloro-6-iodo-7-phenylsulfonyl-7H-pyrrolo[2,3-D]pyrimidine876343-09-844 % similar 1-Tosylpyrrole17639-64-442 % similar 4-Bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine889939-25-742 % similar 1-(4-Methylphenylsulfonyl)-1,2,4-triazole13578-51-341 % similar

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

Elsewhere

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