Methyl 2-(4-methylphenylsulfonamido)acetate

C10H13NO4SCAS 2645-02-5243.28 g/mol

Open in Covalent MOL file
SOONHOO
EsterSulfonamide

Properties

Molecular formula
C10H13NO4S
Molar mass
243.28 g/mol
Exact mass
243.0565 Da
logP
0.45Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2645-02-5
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC
InChIKey
GYQBPYXMRNEAKZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO4S/c1-8-3-5-9(6-4-8)16(13,14)11-7-10(12)15-2/h3-6,11H,7H2,1-2H3

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Work with Methyl 2-(4-methylphenylsulfonamido)acetate

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-((4-Methylphenyl)sulfonyl)glycine1080-44-061 % similar N-Ethyl-4-methylbenzenesulfonamide80-39-755 % similar Methyl 3-[[(2-methoxy-2-oxoethyl)amino]sulfonyl]-2-thiophenecarboxylate106820-63-751 % similar p-Tolylacetic acid methyl ester23786-13-250 % similar N-Benzyl-p-toluenesulfonamide1576-37-049 % similar N-Butyl-4-methylbenzenesulfonamide1907-65-949 % similar N-Methyl-p-toluenesulfonamide640-61-946 % similar P-Toluenesulfonylhydrazide1576-35-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-5-(2-oxopropyl)benzenesulfonamide116091-63-5 Ethyl ((4-methylphenyl)sulphonyl)carbamate5577-13-9

Elsewhere

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