chempirical

Eed226

C17H15N5O3SCAS 2083627-02-3369.40 g/mol

Open in Covalent MOL file
SOONNNNNHO
Secondary amineSulfone

Properties

Molecular formula
C17H15N5O3S
Molar mass
369.40 g/mol
Exact mass
369.0896 Da
logP
2.40Crippen estimate
Polar surface area
102.4 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2083627-02-3
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4
InChIKey
DYIRSNMPIZZNBK-UHFFFAOYSA-N
InChI
InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)

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Work with Eed226

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

4-Amino-N-(furan-2-ylmethyl)benzene-1-sulfonamide5626-92-631 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook