chempirical

N,N-Dimethyl 4-iodo-1H-imidazole-1-sulfonamide

C5H8IN3O2SCAS 135773-25-0301.10 g/mol

Open in Covalent MOL file
NSOONNI
Aryl halide

Properties

Molecular formula
C5H8IN3O2S
Molar mass
301.10 g/mol
Exact mass
300.9382 Da
logP
0.14Crippen estimate
Polar surface area
55.2 Ų
H-bond donors / acceptors
0 / 3
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
135773-25-0
SMILES
CN(C)S(=O)(=O)N1C=C(N=C1)I
InChIKey
HSJHNZMKMJPPGU-UHFFFAOYSA-N
InChI
InChI=1S/C5H8IN3O2S/c1-8(2)12(10,11)9-3-5(6)7-4-9/h3-4H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with N,N-Dimethyl 4-iodo-1H-imidazole-1-sulfonamide

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

Imidazole-1-sulfonic acid dimethyl amine78162-58-047 % similar 4-Iodo-1-methyl-1H-imidazole71759-87-041 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook