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

C₁₃H₉IN₂O₂SCAS 282734-63-8384.19 g/mol

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Properties

Molecular formula: C₁₃H₉IN₂O₂S
Molar mass: 384.19 g/mol
Exact mass: 383.9429 Da
logP: 2.88Crippen estimate
Polar surface area: 52.0 Å²
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

282734-63-8

SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2N=CC=C3)I

InChIKey

RWGDHZXCZZVWDC-UHFFFAOYSA-N

InChI

InChI=1S/C13H9IN2O2S/c14-12-9-10-5-4-8-15-13(10)16(12)19(17,18)11-6-2-1-3-7-11/h1-9H

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Names and synonyms

1 names

1-(Benzenesulfonyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine

Work with 2-Iodo-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-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine889939-26-862 % similar 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine143141-23-555 % similar 1-(Phenylsulfonyl)-2-indoleboronic acid342404-46-040 % similar 1-(Phenylsulfonyl)indole40899-71-637 % similar 1-(Phenylsulfonyl)-1H-pyrrole16851-82-436 % similar 6-Iodoquinoline13327-31-630 % similar

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

Elsewhere

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