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

C₅H₈IN₃O₂SCAS 135773-25-0301.10 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 4-Iodo-1-tritylimidazole96797-15-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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