[3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone

C16H16FNO4S — CID 138053963

IUPAC[3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc(F)c2oc(C(=O)N3CC(C4CS(=O)(=O)C4)C3)cc12
InChIInChI=1S/C16H16FNO4S/c1-9-2-3-13(17)15-12(9)4-14(22-15)16(19)18-5-10(6-18)11-7-23(20,21)8-11/h2-4,10-11H,5-8H2,1H3
InChIKeyAAZOPOZBSACIIY-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.00
Rot. Bonds2

About [3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone

[3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone (PubChem CID 138053963) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is [3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone
PubChem CID138053963
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name[3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc(F)c2oc(C(=O)N3CC(C4CS(=O)(=O)C4)C3)cc12
InChIInChI=1S/C16H16FNO4S/c1-9-2-3-13(17)15-12(9)4-14(22-15)16(19)18-5-10(6-18)11-7-23(20,21)8-11/h2-4,10-11H,5-8H2,1H3
InChIKeyAAZOPOZBSACIIY-UHFFFAOYSA-N
XLogP2.00
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone (CID 138053963) is [3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone is Cc1ccc(F)c2oc(C(=O)N3CC(C4CS(=O)(=O)C4)C3)cc12.
What is the InChIKey of [3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is AAZOPOZBSACIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-9-2-3-13(17)15-12(9)4-14(22-15)16(19)18-5-10(6-18)11-7-23(20,21)8-11/h2-4,10-11H,5-8H2,1H3.
What are the key properties of [3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone?
[3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 337.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-dioxothietan-3-yl)azetidin-1-yl]-(7-fluoro-4-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 138053963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).