5-Bromo-N-tert-butyl-2-thiophenesulfonamide

C₈H₁₂BrNO₂S₂CAS 286932-39-6298.21 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide

Properties

Molecular formula: C₈H₁₂BrNO₂S₂
Molar mass: 298.21 g/mol
Exact mass: 296.9493 Da
logP: 2.59Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

286932-39-6

SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(S1)Br

InChIKey

KWUYZYHIQKPORJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H12BrNO2S2/c1-8(2,3)10-14(11,12)7-5-4-6(9)13-7/h4-5,10H,1-3H3

Weigh it out

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

Names and synonyms

1 names

5-Bromo-N-tert-butylthiophene-2-sulfonamide

Work with 5-Bromo-N-tert-butyl-2-thiophenesulfonamide

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-tert-Butyl-2-thiophenesulfonamide100342-30-153 % similar 5-Bromo-2-thiophenesulfonamide53595-65-646 % similar 5-Bromothiophene-2-sulfonyl chloride55854-46-146 % similar Tasisulam519055-62-040 % similar 2,5-Dibromothiophene3141-27-340 % similar 3-Amino-N-(tert-butyl)benzenesulfonamide608523-94-039 % similar 2-Bromo-5-methylthiophene765-58-233 % similar 5,5'-Dibromo-2,2'-bithiophene4805-22-532 % similar

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

Elsewhere

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