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

C13H9IN2O2SCAS 282734-63-8384.19 g/mol

Open in Covalent MOL file
SOONNI
Aryl halide

Properties

Molecular formula
C13H9IN2O2S
Molar mass
384.19 g/mol
Exact mass
383.9429 Da
logP
2.88Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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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 4-Chloro-6-iodo-7-phenylsulfonyl-7H-pyrrolo[2,3-D]pyrimidine876343-09-855 % similar 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine143141-23-555 % similar 1-(Phenylsulfonyl)-2-indoleboronic acid342404-46-040 % similar 4-Bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine889939-25-738 % similar 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine886547-94-037 % similar 1-(Phenylsulfonyl)indole40899-71-637 % similar 1-(Phenylsulfonyl)-1H-pyrrole16851-82-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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