chempirical

2-(Benzenesulfonyl)acetamide

C8H9NO3SCAS 35008-50-5199.22 g/mol

Open in Covalent MOL file
SOOONH2
AmideSulfone

Properties

Molecular formula
C8H9NO3S
Molar mass
199.22 g/mol
Exact mass
199.0303 Da
logP
-0.05Crippen estimate
Polar surface area
77.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

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

Identifiers

CAS number
35008-50-5
SMILES
C1=CC=C(C=C1)S(=O)(=O)CC(=O)N
InChIKey
LKYNWTGTRVZBPA-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)

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Names and synonyms

1 names
  • (Phenylsulfonyl)acetamide

Work with 2-(Benzenesulfonyl)acetamide

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

1-Phenyl-2-(phenylsulfonyl)ethanone3406-03-959 % similar (Phenylsulfonyl)acetic acid3959-23-759 % similar Phenylsulfonylacetone5000-44-259 % similar Methyl 2-(phenylsulfonyl)acetate34097-60-454 % similar Bis(phenylsulfonyl)methane3406-02-854 % similar Ethyl phenylsulfonylacetate7605-30-351 % similar Fluoromethyl phenyl sulfone20808-12-248 % similar [(Phenylmethyl)sulfonyl]benzene3112-88-748 % similar

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

Same formula

2-[(4-Nitrophenyl)thio]ethanol13287-76-8 4-Acetylbenzenesulfonamide1565-17-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook