chempirical

2-Phthalimidoethanesulfonyl chloride

C10H8ClNO4SCAS 4403-36-5273.69 g/mol

Open in Covalent MOL file
OONSOOCl
AmideLactam

Properties

Molecular formula
C10H8ClNO4S
Molar mass
273.69 g/mol
Exact mass
272.9863 Da
Melting point
157.5–158.5 °C
logP
0.85Crippen estimate
Polar surface area
71.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
4403-36-5
SMILES
O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Cl
InChIKey
HCPVYBCAYPMANM-UHFFFAOYSA-N
InChI
InChI=1S/C10H8ClNO4S/c11-17(15,16)6-5-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

11 names
  • 2H-Isoindole-2-ethanesulfonyl chloride, 1,3-dihydro-1,3-dioxo-
  • 2-Isoindolineethanesulfonyl chloride, 1,3-dioxo-
  • 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-ethanesulfonyl chloride
  • 2-Phthalimidoethylsulfonyl chloride
  • NSC 210785
  • NSC 218453
  • 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethanesulfonyl chloride
  • 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonyl chloride
  • 2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)ethan-1-sulfonyl chloride
  • 2-(1,3-Dioxoisoindol-2-yl)ethanesulfonyl chloride
  • 2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)ethane-1-sulfonyl chloride

Work with 2-Phthalimidoethanesulfonyl chloride

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

2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-653 % similar N-(2-Hydroxyethyl)phthalimide3891-07-453 % similar N-Butylphthalimide1515-72-650 % similar 3-Phthalimidopropionaldehyde2436-29-550 % similar 2-(4-Bromobutyl)-1H-isoindole-1,3(2H)-dione5394-18-350 % similar N-(3-Bromopropyl)phthalimide5460-29-750 % similar 2-(3-Hydroxypropyl)-1H-isoindole-1,3(2H)-dione883-44-350 % similar N-Phthaloyl-β-alanine3339-73-949 % similar

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

Elsewhere

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