2-Methoxy-5-(2-oxopropyl)benzenesulfonamide

C₁₀H₁₃NO₄SCAS 116091-63-5243.28 g/mol

Open in Covalent MOL file

Ether Ketone Sulfonamide

Properties

Molecular formula: C₁₀H₁₃NO₄S
Molar mass: 243.28 g/mol
Exact mass: 243.0565 Da
logP: 0.47Crippen estimate
Polar surface area: 86.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed80% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation40% of notifiers
H319 Causes serious eye irritation40% of notifiers
H332 Harmful if inhaled40% of notifiers
H335 May cause respiratory irritation40% of notifiers

Aggregated from 5 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

116091-63-5

SMILES

COc1ccc(CC(C)=O)cc1S(N)(=O)=O

InChIKey

MQQJFLHZXQRKKJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H13NO4S/c1-7(12)5-8-3-4-9(15-2)10(6-8)16(11,13)14/h3-4,6H,5H2,1-2H3,(H2,11,13,14)

Weigh it out

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

Names and synonyms

2 names

Benzenesulfonamide, 2-methoxy-5-(2-oxopropyl)-
5-Acetonyl-2-methoxybenzenesulfonamide

Work with 2-Methoxy-5-(2-oxopropyl)benzenesulfonamide

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

(3,4-Dimethoxyphenyl)acetone776-99-863 % similar (R)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide112101-81-258 % similar 2,5-Dimethoxybenzenesulfonamide19116-90-656 % similar (R)-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide hydrochloride112101-75-455 % similar Guaiacylacetone2503-46-054 % similar 3,4-Methylenedioxyphenylpropan-2-one4676-39-549 % similar 4-Methoxyphenylacetone122-84-949 % similar 3′-Methoxyphenyl-2-propanone3027-13-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-(4-methylphenylsulfonamido)acetate2645-02-5 Ethyl ((4-methylphenyl)sulphonyl)carbamate5577-13-9

Elsewhere

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