5-(2-Fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-carboxaldehyde

C₁₆H₁₁FN₂O₃SCAS 881677-11-8330.33 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₆H₁₁FN₂O₃S
Molar mass: 330.33 g/mol
Exact mass: 330.0474 Da
logP: 2.74Crippen estimate
Polar surface area: 69.0 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Identifiers

CAS number

881677-11-8

SMILES

O=Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1

InChIKey

IXCSYEVJOAWXRH-UHFFFAOYSA-N

InChI

InChI=1S/C16H11FN2O3S/c17-15-6-2-1-5-14(15)16-8-12(11-20)10-19(16)23(21,22)13-4-3-7-18-9-13/h1-11H

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Names and synonyms

2 names

1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-1-(3-pyridinylsulfonyl)-
5-(2-Fluorophenyl)-1-[(pyridin-3-yl)sulfonyl]-1H-pyrrole-3-carboxaldehyde

Work with 5-(2-Fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-carboxaldehyde

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

Vonoprazan881681-00-163 % similar 5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)1260141-27-256 % similar 5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)881681-01-256 % similar 5-(2-Fluorophenyl)-1H-pyrrole-3-carboxaldehyde881674-56-237 % similar Pyridine-3-carbaldehyde500-22-136 % similar 2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde223575-95-934 % similar 3-(3-Pyridyl)benzaldehyde131231-24-834 % similar 4-(Pyridin-3-yl)benzaldehyde127406-55-733 % similar

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

Elsewhere

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