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

C13H10N2O2SCAS 143141-23-5258.30 g/mol

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SOONN

Properties

Molecular formula
C13H10N2O2S
Molar mass
258.30 g/mol
Exact mass
258.0463 Da
logP
2.27Crippen 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.

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Identifiers

CAS number
143141-23-5
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=CC=C3
InChIKey
KEPQQULYWDIKEK-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N2O2S/c16-18(17,12-6-2-1-3-7-12)15-10-8-11-5-4-9-14-13(11)15/h1-10H

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Names and synonyms

1 names
  • 1H-Pyrrolo[2,3-B]pyridine, 1-(phenylsulfonyl)-

Work with 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

1-(Phenylsulfonyl)indole40899-71-659 % similar 4-Bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine889939-25-758 % similar 2-Iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine282734-63-855 % similar 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine886547-94-045 % similar 1-(Phenylsulfonyl)-1H-pyrrole16851-82-443 % similar 4-Bromo-1-tosyl-1H-pyrrolo[2,3-b]pyridine348640-07-342 % similar 4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine889939-26-838 % similar 3-Bromo-1-(phenylsulfonyl)-1H-indole99655-68-237 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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