chempirical

Nodinitib-1

C14H13N3O2SCAS 799264-47-4287.34 g/mol

Open in Covalent MOL file
SOONNH2N
Primary amine

Properties

Molecular formula
C14H13N3O2S
Molar mass
287.34 g/mol
Exact mass
287.0728 Da
logP
2.16Crippen estimate
Polar surface area
78.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

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
799264-47-4
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2N
InChIKey
SRFABRWQVPCPRG-UHFFFAOYSA-N
InChI
InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)

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Names and synonyms

1 names
  • 1-(4-Methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine

Work with Nodinitib-1

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

1-Tosylpyrrole17639-64-444 % similar 1-(4-Methylphenylsulfonyl)-1,2,4-triazole13578-51-340 % similar 1-(p-Toluenesulfonyl)imidazole2232-08-840 % similar 1-Propyl-1H-benzoimidazol-2-ylamine57667-50-240 % similar P-Toluenesulfonamide70-55-338 % similar N-Tosyl-5-bromo-4,7-diazaindole1201186-54-038 % similar Toluenesulfonamide1333-07-937 % similar N-(4-Aminophenyl)-4-methylbenzenesulfonamide6380-08-135 % similar

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

Same formula

Thionine acetate78338-22-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook