3-Amino-6-[4-(methylsulfonyl)phenyl]-N-phenyl-2-pyrazinecarboxamide

C₁₈H₁₆N₄O₃SCAS 1232410-49-9368.41 g/mol

Open in Covalent MOL file

Amide Primary amine Sulfone

Properties

Molecular formula: C₁₈H₁₆N₄O₃S
Molar mass: 368.41 g/mol
Exact mass: 368.0943 Da
logP: 2.38Crippen estimate
Polar surface area: 115.0 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 4

Identifiers

CAS number

1232410-49-9

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N

InChIKey

DUIHHZKTCSNTGM-UHFFFAOYSA-N

InChI

InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)

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Work with 3-Amino-6-[4-(methylsulfonyl)phenyl]-N-phenyl-2-pyrazinecarboxamide

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

Methyl phenyl sulfone3112-85-435 % similar P-(Methylsulfonyl)phenylhydrazine877-66-734 % similar Coelenteramine37156-84-633 % similar 4-(Methylsulfonyl)aniline5470-49-533 % similar 4-(Methylsulfonyl)phenylhydrazine hydrochloride17852-67-432 % similar N-(4-Aminophenyl)benzamide17625-83-132 % similar Rofecoxib162011-90-730 % similar

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

Elsewhere

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