1-(1-benzofuran-2-ylsulfonyl)pyrrolidine

C12H13NO3S — CID 71973607

IUPAC1-(1-benzofuran-2-ylsulfonyl)pyrrolidine
SMILESO=S(=O)(c1cc2ccccc2o1)N1CCCC1
InChIInChI=1S/C12H13NO3S/c14-17(15,13-7-3-4-8-13)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,9H,3-4,7-8H2
InChIKeyLAGLECYNLLMZPH-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.22
Rot. Bonds2

About 1-(1-benzofuran-2-ylsulfonyl)pyrrolidine

1-(1-benzofuran-2-ylsulfonyl)pyrrolidine (PubChem CID 71973607) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylsulfonyl)pyrrolidine
PubChem CID71973607
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name1-(1-benzofuran-2-ylsulfonyl)pyrrolidine
SMILESO=S(=O)(c1cc2ccccc2o1)N1CCCC1
InChIInChI=1S/C12H13NO3S/c14-17(15,13-7-3-4-8-13)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,9H,3-4,7-8H2
InChIKeyLAGLECYNLLMZPH-UHFFFAOYSA-N
XLogP2.22
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylsulfonyl)pyrrolidine?
The IUPAC name of 1-(1-benzofuran-2-ylsulfonyl)pyrrolidine (CID 71973607) is 1-(1-benzofuran-2-ylsulfonyl)pyrrolidine.
What is the SMILES notation for 1-(1-benzofuran-2-ylsulfonyl)pyrrolidine?
The canonical SMILES for 1-(1-benzofuran-2-ylsulfonyl)pyrrolidine is O=S(=O)(c1cc2ccccc2o1)N1CCCC1.
What is the InChIKey of 1-(1-benzofuran-2-ylsulfonyl)pyrrolidine?
The InChIKey is LAGLECYNLLMZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c14-17(15,13-7-3-4-8-13)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of 1-(1-benzofuran-2-ylsulfonyl)pyrrolidine?
1-(1-benzofuran-2-ylsulfonyl)pyrrolidine has a molecular weight of 251.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylsulfonyl)pyrrolidine is sourced from PubChem (CID 71973607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).