2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5-sulfonamide

C₁₃H₁₉NO₃SCAS 378230-81-0269.36 g/mol

Open in Covalent MOL file

Ether Sulfonamide

Properties

Molecular formula: C₁₃H₁₉NO₃S
Molar mass: 269.36 g/mol
Exact mass: 269.1086 Da
logP: 1.97Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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

378230-81-0

SMILES

CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)N)C

InChIKey

GFKBZBDWCHNYFR-UHFFFAOYSA-N

InChI

InChI=1S/C13H19NO3S/c1-7-8(2)12(18(14,15)16)9(3)10-6-13(4,5)17-11(7)10/h6H2,1-5H3,(H2,14,15,16)

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Names and synonyms

1 names

2,2,4,6,7-Pentamethyldihydrobenzofuran-5-sulfonamide

Work with 2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5-sulfonamide

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

2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride154445-78-066 % 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-ornithine200116-81-042 % similar H-Arg(pbf)-ome hcl257288-19-039 % 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 (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-5-(3-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)guanidino)pentanoic acid2135655-88-633 % 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

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

Elsewhere

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