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

C18H18FNO4S — CID 113095349

IUPAC4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2c3c(cc4c2OCC4)OCC3)ccc1F
InChIInChI=1S/C18H18FNO4S/c1-11-8-13(2-3-16(11)19)25(21,22)20-10-15-14-5-7-23-17(14)9-12-4-6-24-18(12)15/h2-3,8-9,20H,4-7,10H2,1H3
InChIKeyOEGPYIONUHCTEF-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.48
Rot. Bonds4

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

4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide (PubChem CID 113095349) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
PubChem CID113095349
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2c3c(cc4c2OCC4)OCC3)ccc1F
InChIInChI=1S/C18H18FNO4S/c1-11-8-13(2-3-16(11)19)25(21,22)20-10-15-14-5-7-23-17(14)9-12-4-6-24-18(12)15/h2-3,8-9,20H,4-7,10H2,1H3
InChIKeyOEGPYIONUHCTEF-UHFFFAOYSA-N
XLogP2.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.48
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-yl)benzenesulfonamide
CID 113095476
N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113095346
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
4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
CID 113095477
1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217817
4-fluoro-3-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 9188282
ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate
CID 113095323
4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320313
N-(2-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
CID 113199858
N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
CID 9267364
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110416259

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide (CID 113095349) is 4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2c3c(cc4c2OCC4)OCC3)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
The InChIKey is OEGPYIONUHCTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c1-11-8-13(2-3-16(11)19)25(21,22)20-10-15-14-5-7-23-17(14)9-12-4-6-24-18(12)15/h2-3,8-9,20H,4-7,10H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide has a molecular weight of 363.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 113095349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).