4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide

C17H16FNO4S — CID 113095477

IUPAC4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C17H16FNO4S/c1-10-8-12(18)2-3-15(10)24(20,21)19-16-13-5-7-22-14(13)9-11-4-6-23-17(11)16/h2-3,8-9,19H,4-7H2,1H3
InChIKeyXLUAUWSKVNJJAD-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.80
Rot. Bonds3

About 4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide

4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide (PubChem CID 113095477) has the molecular formula C17H16FNO4S and a molecular weight of 349.38 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
PubChem CID113095477
Molecular FormulaC17H16FNO4S
Molecular Weight349.38 g/mol
Exact Mass349.08
IUPAC Name4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C17H16FNO4S/c1-10-8-12(18)2-3-15(10)24(20,21)19-16-13-5-7-22-14(13)9-11-4-6-23-17(11)16/h2-3,8-9,19H,4-7H2,1H3
InChIKeyXLUAUWSKVNJJAD-UHFFFAOYSA-N
XLogP2.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide with MolForge

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Related Compounds

4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
CID 113095476
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110787117
N-(2-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
CID 113199858
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 30668156
(3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-ylamino) 4-methylbenzenesulfonate
CID 57300277
4-fluoro-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 100690280
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 43547468
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758953
4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide
CID 110713237
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide (CID 113095477) is 4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of 4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide?
The InChIKey is XLUAUWSKVNJJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4S/c1-10-8-12(18)2-3-15(10)24(20,21)19-16-13-5-7-22-14(13)9-11-4-6-23-17(11)16/h2-3,8-9,19H,4-7H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide?
4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide has a molecular weight of 349.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide is sourced from PubChem (CID 113095477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).