5-(2,3-Dihydro-1H-indol-1-yl)-2-(ethylsulfonyl)-phenylamine

C₁₆H₁₈N₂O₂SCAS 1219976-14-3302.39 g/mol

Open in Covalent MOL file

Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₆H₁₈N₂O₂S
Molar mass: 302.39 g/mol
Exact mass: 302.1089 Da
logP: 2.76Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

1219976-14-3

SMILES

CCS(=O)(=O)C1=C(C=C(C=C1)N2CCC3=CC=CC=C32)N

InChIKey

OOQRIFDMLAAUHO-UHFFFAOYSA-N

InChI

InChI=1S/C16H18N2O2S/c1-2-21(19,20)16-8-7-13(11-14(16)17)18-10-9-12-5-3-4-6-15(12)18/h3-8,11H,2,9-10,17H2,1H3

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Work with 5-(2,3-Dihydro-1H-indol-1-yl)-2-(ethylsulfonyl)-phenylamine

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

5-[3,4-Dihydro-1(2H)-quinolinyl]-2-(ethylsulfonyl)aniline1220033-79-387 % similar 5-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(ethylsulfonyl)benzenamine1220039-24-669 % similar 2-(Ethylsulfonyl)-5-(1-pyrrolidinyl)aniline1219972-54-959 % similar 4-(Ethylsulfonyl)-N1,N1-dimethyl-1,3-benzenediamine1220028-78-358 % similar 4-(Ethylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1219957-21-758 % similar 2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline1220021-52-258 % similar N1,N1-Diethyl-4-(ethylsulfonyl)-1,3-benzenediamine1220028-93-257 % similar N1-Butyl-4-(ethylsulfonyl)-N1-methyl-1,3-benzenediamine1219957-17-157 % similar

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

Same formula

5-[3,4-Dihydro-2(1H)-isoquinolinyl]-2-(methylsulfonyl)aniline1220028-87-4 5-[3,4-Dihydro-1(2H)-quinolinyl]-2-(methylsulfonyl)aniline1220039-20-2

Elsewhere

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