[1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol

C13H14FNO4S — CID 128576886

IUPAC[1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc2ccoc12)N1CC(F)CC1CO
InChIInChI=1S/C13H14FNO4S/c14-10-6-11(8-16)15(7-10)20(17,18)12-3-1-2-9-4-5-19-13(9)12/h1-5,10-11,16H,6-8H2
InChIKeyCDCJEFCKHWLFPE-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.53
Rot. Bonds3

About [1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol

[1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 128576886) has the molecular formula C13H14FNO4S and a molecular weight of 299.32 g/mol. Its IUPAC name is [1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol
PubChem CID128576886
Molecular FormulaC13H14FNO4S
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name[1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc2ccoc12)N1CC(F)CC1CO
InChIInChI=1S/C13H14FNO4S/c14-10-6-11(8-16)15(7-10)20(17,18)12-3-1-2-9-4-5-19-13(9)12/h1-5,10-11,16H,6-8H2
InChIKeyCDCJEFCKHWLFPE-UHFFFAOYSA-N
XLogP1.53
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol (CID 128576886) is [1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol is O=S(=O)(c1cccc2ccoc12)N1CC(F)CC1CO.
What is the InChIKey of [1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is CDCJEFCKHWLFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4S/c14-10-6-11(8-16)15(7-10)20(17,18)12-3-1-2-9-4-5-19-13(9)12/h1-5,10-11,16H,6-8H2.
What are the key properties of [1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol?
[1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 299.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzofuran-7-ylsulfonyl)-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 128576886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).