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

C18H17NO6S — CID 113199794

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)OCO2)c1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C18H17NO6S/c20-26(21,19-9-11-1-2-14-16(7-11)25-10-24-14)18-13-4-6-22-15(13)8-12-3-5-23-17(12)18/h1-2,7-8,19H,3-6,9-10H2
InChIKeyBBHKZJURBQDCAA-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.76
Rot. Bonds4

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

N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide (PubChem CID 113199794) has the molecular formula C18H17NO6S and a molecular weight of 375.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
PubChem CID113199794
Molecular FormulaC18H17NO6S
Molecular Weight375.40 g/mol
Exact Mass375.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)OCO2)c1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C18H17NO6S/c20-26(21,19-9-11-1-2-14-16(7-11)25-10-24-14)18-13-4-6-22-15(13)8-12-3-5-23-17(12)18/h1-2,7-8,19H,3-6,9-10H2
InChIKeyBBHKZJURBQDCAA-UHFFFAOYSA-N
XLogP1.76
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide with MolForge

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 26943562
2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
CID 113095348
N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide
CID 591044
N-(1,3-benzodioxol-5-ylmethyl)-4-[2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]cyclopropyl]benzenesulfonamide
CID 171432447
N-(2-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
CID 113199858
N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113095346
N-(1,3-benzodioxol-5-ylmethyl)-4-ethylbenzenesulfonamide
CID 3751192
N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzenesulfonamide
CID 825686
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1442161
N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]benzenesulfonamide
CID 171432418
4-(1,3-benzodioxol-5-ylmethylsulfamoyl)benzenesulfinic acid
CID 130460984

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide (CID 113199794) is N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide is O=S(=O)(NCc1ccc2c(c1)OCO2)c1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide?
The InChIKey is BBHKZJURBQDCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6S/c20-26(21,19-9-11-1-2-14-16(7-11)25-10-24-14)18-13-4-6-22-15(13)8-12-3-5-23-17(12)18/h1-2,7-8,19H,3-6,9-10H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide?
N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide has a molecular weight of 375.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide is sourced from PubChem (CID 113199794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).