1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine

C13H15NO3S — CID 128775195

IUPAC1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine
SMILESCCC1CN(S(=O)(=O)c2cccc3ccoc23)C1
InChIInChI=1S/C13H15NO3S/c1-2-10-8-14(9-10)18(15,16)12-5-3-4-11-6-7-17-13(11)12/h3-7,10H,2,8-9H2,1H3
InChIKeyUGNOVUMDTXRTSF-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.46
Rot. Bonds3

About 1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine

1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine (PubChem CID 128775195) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine.

Molecular Properties

Compound Name1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine
PubChem CID128775195
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine
SMILESCCC1CN(S(=O)(=O)c2cccc3ccoc23)C1
InChIInChI=1S/C13H15NO3S/c1-2-10-8-14(9-10)18(15,16)12-5-3-4-11-6-7-17-13(11)12/h3-7,10H,2,8-9H2,1H3
InChIKeyUGNOVUMDTXRTSF-UHFFFAOYSA-N
XLogP2.46
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine?
The IUPAC name of 1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine (CID 128775195) is 1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine.
What is the SMILES notation for 1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine?
The canonical SMILES for 1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine is CCC1CN(S(=O)(=O)c2cccc3ccoc23)C1.
What is the InChIKey of 1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine?
The InChIKey is UGNOVUMDTXRTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-2-10-8-14(9-10)18(15,16)12-5-3-4-11-6-7-17-13(11)12/h3-7,10H,2,8-9H2,1H3.
What are the key properties of 1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine?
1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine has a molecular weight of 265.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-ylsulfonyl)-3-ethylazetidine is sourced from PubChem (CID 128775195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).