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

C17H14N2O4S — CID 113199914

IUPACN-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2c3c(cc4c2OCC4)OCC3)c1
InChIInChI=1S/C17H14N2O4S/c18-10-11-2-1-3-13(8-11)19-24(20,21)17-14-5-7-22-15(14)9-12-4-6-23-16(12)17/h1-3,8-9,19H,4-7H2
InChIKeyYZIFSQCVLUINAD-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.23
Rot. Bonds3

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

N-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide (PubChem CID 113199914) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
PubChem CID113199914
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC NameN-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2c3c(cc4c2OCC4)OCC3)c1
InChIInChI=1S/C17H14N2O4S/c18-10-11-2-1-3-13(8-11)19-24(20,21)17-14-5-7-22-15(14)9-12-4-6-23-16(12)17/h1-3,8-9,19H,4-7H2
InChIKeyYZIFSQCVLUINAD-UHFFFAOYSA-N
XLogP2.23
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
CID 113199858
N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
CID 113199869
2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
CID 26979574
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzenesulfonamide
CID 5161699
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
CID 113199794
1-cyano-3-(dimethylsulfamoylamino)benzene
CID 28788421
2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
CID 43452384
3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257536
5-chloro-N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 100725410
N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247332

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide?
The IUPAC name of N-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide (CID 113199914) is N-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide is N#Cc1cccc(NS(=O)(=O)c2c3c(cc4c2OCC4)OCC3)c1.
What is the InChIKey of N-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide?
The InChIKey is YZIFSQCVLUINAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c18-10-11-2-1-3-13(8-11)19-24(20,21)17-14-5-7-22-15(14)9-12-4-6-23-16(12)17/h1-3,8-9,19H,4-7H2.
What are the key properties of N-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide?
N-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide has a molecular weight of 342.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide is sourced from PubChem (CID 113199914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).