4-tert-Butylbenzenesulfonamide

C₁₀H₁₅NO₂SCAS 6292-59-7213.29 g/mol

Open in Covalent MOL file

Sulfonamide

Properties

Molecular formula: C₁₀H₁₅NO₂S
Molar mass: 213.29 g/mol
Exact mass: 213.0823 Da
Melting point: 136–137 °C
logP: 1.63Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed11.1% of notifiers
H314 Causes severe skin burns and eye damage11.1% of notifiers
H315 Causes skin irritation44.4% of notifiers
H319 Causes serious eye irritation44.4% of notifiers
H332 Harmful if inhaled11.1% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

6292-59-7

SMILES

CC(C)(C)c1ccc(S(N)(=O)=O)cc1

InChIKey

KYDZEZNYRFJCSA-UHFFFAOYSA-N

InChI

InChI=1S/C10H15NO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13)

Weigh it out

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

Names and synonyms

7 names

Benzenesulfonamide, 4-(1,1-dimethylethyl)-
Benzenesulfonamide, p-tert-butyl-
4-(1,1-Dimethylethyl)benzenesulfonamide
p-tert-Butylbenzenesulfonamide
p-(tert-Butyl)phenylsulfonamide
NSC 9911
4-(TertButyl)benzenesulfonamide

Work with 4-tert-Butylbenzenesulfonamide

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-(Trifluoromethyl)benzenesulfonamide830-43-360 % similar P-Toluenesulfonamide70-55-355 % similar 4-tert-Butylbenzenesulfonyl chloride15084-51-255 % similar Sulfanilamide63-74-152 % similar 1,4-Di-tert-butylbenzene1012-72-250 % similar 4-Methoxybenzenesulfonamide1129-26-650 % similar 4-Ethylbenzenesulfonamide138-38-550 % similar 4-Hydroxybenzenesulfonamide1576-43-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1R)-10,10-Dimethyl-3λ[6]-thia-4-azatricyclo[5.2.1.0[1,5]]dec-4-ene-3,3-dione107869-45-4 4-N-Butylbenzenesulfonamide1135-00-8 (1S,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol16854-32-3 Methyl 3-amino-5-tert-butylthiophene-2-carboxylate175137-03-8 N-Butylbenzenesulfonamide3622-84-2 (3aS,6R)-8,8-Dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide60886-80-8 2-(4-Methyl-5-thiazolyl)ethyl butanoate94159-31-6

Elsewhere

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