chempirical

Hmn 154

C20H18N2O3SCAS 173528-92-2366.44 g/mol

Open in Covalent MOL file
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AlkeneEtherSulfonamide

Properties

Molecular formula
C20H18N2O3S
Molar mass
366.44 g/mol
Exact mass
366.1038 Da
logP
4.06Crippen estimate
Polar surface area
68.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
173528-92-2
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2/C=C/C3=CC=NC=C3
InChIKey
CIJCDFMGZYKSSC-VOTSOKGWSA-N
InChI
InChI=1S/C20H18N2O3S/c1-25-18-8-10-19(11-9-18)26(23,24)22-20-5-3-2-4-17(20)7-6-16-12-14-21-15-13-16/h2-15,22H,1H3/b7-6+

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Names and synonyms

1 names
  • (E)-4-[2-{2-[N-(4-Methoxybenzenesulfonyl)amino]phenyl}ethenyl ]pyridine

Work with Hmn 154

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

N-[2-[(4-Hydroxyphenyl)amino]-3-pyridinyl]-4-methoxybenzenesulfonamide141430-65-147 % similar 4-Methoxybenzenesulfonic acid hydrazide1950-68-142 % similar 4-Methoxystilbene1142-15-040 % similar N-[(4-Methoxyphenyl)sulfonyl]-N-[2-[(1E)-2-(1-oxido-4-pyridinyl)ethenyl]phenyl]acetamide173529-46-940 % similar Sulfamethoxydiazine651-06-939 % similar 4-Methoxybenzenesulfonamide1129-26-636 % similar 4-Methoxypyridine620-08-636 % similar 4-Styrylpyridine103-31-135 % similar

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

Elsewhere

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