N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C21H23NO4S — CID 113095346

IUPACN-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1c2c(cc3c1OCC3)OCC2)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H23NO4S/c23-27(24,17-6-5-14-3-1-2-4-15(14)11-17)22-13-19-18-8-10-25-20(18)12-16-7-9-26-21(16)19/h5-6,11-12,22H,1-4,7-10,13H2
InChIKeyFRKCDTPQONTXCK-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.91
Rot. Bonds4

About N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 113095346) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID113095346
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC NameN-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1c2c(cc3c1OCC3)OCC2)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H23NO4S/c23-27(24,17-6-5-14-3-1-2-4-15(14)11-17)22-13-19-18-8-10-25-20(18)12-16-7-9-26-21(16)19/h5-6,11-12,22H,1-4,7-10,13H2
InChIKeyFRKCDTPQONTXCK-UHFFFAOYSA-N
XLogP2.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
CID 113095349
2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
CID 113095348
3-chloro-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide
CID 113095616
N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
CID 113199794
N-(2,3-dihydro-1-benzofuran-7-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110870916
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
CID 113095476
N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35764559
N-[2-(1,3-dioxan-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110370149
N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39855189
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110319606
N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110405168

Frequently Asked Questions

What is the IUPAC name of N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 113095346) is N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NCc1c2c(cc3c1OCC3)OCC2)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is FRKCDTPQONTXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4S/c23-27(24,17-6-5-14-3-1-2-4-15(14)11-17)22-13-19-18-8-10-25-20(18)12-16-7-9-26-21(16)19/h5-6,11-12,22H,1-4,7-10,13H2.
What are the key properties of N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 113095346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).