chempirical

2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride

C13H17ClO3SCAS 154445-78-0288.79 g/mol

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SOOClO
Ether

Properties

Molecular formula
C13H17ClO3S
Molar mass
288.79 g/mol
Exact mass
288.0587 Da
logP
3.25Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
154445-78-0
SMILES
Cc1c(C)c(S(=O)(=O)Cl)c(C)c2c1OC(C)(C)C2
InChIKey
HLJKUZUILACRPQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H17ClO3S/c1-7-8(2)12(18(14,15)16)9(3)10-6-13(4,5)17-11(7)10/h6H2,1-5H3

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Names and synonyms

6 names
  • 5-Benzofuransulfonyl chloride, 2,3-dihydro-2,2,4,6,7-pentamethyl-
  • 2,2,4,6,7-Pentamethyldihydrobenzofuran-5-sulfonyl chloride
  • (2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl chloride
  • 2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5-sulfonyl chloride
  • 2,2,4,6,7-Pentamethyl-3H-1-benzofuran-5-sulfonyl chloride
  • 2,2,4,6,7-Pentamethyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride

Work with 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl 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

Pentamethylbenzenesulfonyl chloride52499-94-249 % similar 2,3-Dihydro-2,2,4,6,7-pentamethylbenzofuran142874-81-544 % similar N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-D-ornithine200116-81-040 % similar 2,3,5,6-Tetramethylbenzenesulfonyl chloride60706-63-039 % similar N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(1,1-dimethylethoxy)carbonyl]-D-ornithine186698-61-336 % similar Fmoc-arg(me,pbf)-oh1135616-49-731 % similar N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine154445-77-931 % similar N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-ornithine187618-60-631 % similar

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

Elsewhere

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