chempirical

4-Bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine

C13H9BrN2O2SCAS 889939-25-7337.19 g/mol

Open in Covalent MOL file
SOONNBr
Aryl halide

Properties

Molecular formula
C13H9BrN2O2S
Molar mass
337.19 g/mol
Exact mass
335.9568 Da
logP
3.04Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
0 / 3
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
889939-25-7
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CN=C32)Br
InChIKey
HSCQVANUQCLSJL-UHFFFAOYSA-N
InChI
InChI=1S/C13H9BrN2O2S/c14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10/h1-9H

Weigh it out

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Work with 4-Bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine

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]pyridine348640-07-374 % similar 4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine889939-26-858 % similar 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine143141-23-558 % similar 1-(Phenylsulfonyl)indole40899-71-643 % similar 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine886547-94-042 % similar 4-Chloro-7-(p-toluenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine479633-63-142 % similar 1-(Phenylsulfonyl)-1H-pyrrole16851-82-439 % similar 2-Iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine282734-63-838 % similar

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

Elsewhere

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