chempirical

4-Chloro-6-iodo-7-phenylsulfonyl-7H-pyrrolo[2,3-D]pyrimidine

C12H7ClIN3O2SCAS 876343-09-8419.62 g/mol

Open in Covalent MOL file
SOONNNClI
Aryl halide

Properties

Molecular formula
C12H7ClIN3O2S
Molar mass
419.62 g/mol
Exact mass
418.8992 Da
logP
2.93Crippen 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
876343-09-8
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2N=CN=C3Cl)I
InChIKey
PEVCDMDOTQHPPL-UHFFFAOYSA-N
InChI
InChI=1S/C12H7ClIN3O2S/c13-11-9-6-10(14)17(12(9)16-7-15-11)20(18,19)8-4-2-1-3-5-8/h1-7H

Weigh it out

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

Work with 4-Chloro-6-iodo-7-phenylsulfonyl-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-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine889939-26-860 % similar 2-Iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine282734-63-855 % similar 4-Chloro-7-(p-toluenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine479633-63-144 % similar 4-Chloro-quinazoline5190-68-135 % similar 4-Chloro-7-methyl-7H-pyrrolo[2,3-D]pyrimidine7781-10-434 % similar 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine143141-23-533 % similar 4-Bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine889939-25-733 % similar 1-(Phenylsulfonyl)-1H-pyrrole16851-82-433 % similar

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

Elsewhere

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