2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline

C19H19NO4S — CID 113199800

IUPAC2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
SMILESO=S(=O)(c1c2c(cc3c1OCC3)OCC2)N1CCc2ccccc2C1
InChIInChI=1S/C19H19NO4S/c21-25(22,20-8-5-13-3-1-2-4-15(13)12-20)19-16-7-10-23-17(16)11-14-6-9-24-18(14)19/h1-4,11H,5-10,12H2
InChIKeyPWHBKFJAHXZPAT-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.30
Rot. Bonds2

About 2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline

2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 113199800) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
PubChem CID113199800
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
SMILESO=S(=O)(c1c2c(cc3c1OCC3)OCC2)N1CCc2ccccc2C1
InChIInChI=1S/C19H19NO4S/c21-25(22,20-8-5-13-3-1-2-4-15(13)12-20)19-16-7-10-23-17(16)11-14-6-9-24-18(14)19/h1-4,11H,5-10,12H2
InChIKeyPWHBKFJAHXZPAT-UHFFFAOYSA-N
XLogP2.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 110705617
2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 808079
2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methylaniline
CID 43452422
N-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
CID 113199914
7-(3-chlorophenyl)sulfonyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
CID 110647199
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline
CID 13098689
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
8-thiophen-2-ylsulfonyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
CID 4897978
[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-pyridinyl]hydrazine
CID 103300872
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-amine
CID 61300720
8-(4-bromophenyl)sulfonyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
CID 4899106
8-(4-fluorophenyl)sulfonyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
CID 4899843

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline (CID 113199800) is 2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline is O=S(=O)(c1c2c(cc3c1OCC3)OCC2)N1CCc2ccccc2C1.
What is the InChIKey of 2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is PWHBKFJAHXZPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c21-25(22,20-8-5-13-3-1-2-4-15(13)12-20)19-16-7-10-23-17(16)11-14-6-9-24-18(14)19/h1-4,11H,5-10,12H2.
What are the key properties of 2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline?
2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 357.43 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 113199800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).