1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide

C13H14N2O4S — CID 168718315

IUPAC1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2ccc3occc3c2)C1
InChIInChI=1S/C13H14N2O4S/c14-20(17,18)11-6-13(16)15(8-11)7-9-1-2-12-10(5-9)3-4-19-12/h1-5,11H,6-8H2,(H2,14,17,18)
InChIKeyUUKZOOMZXJWPND-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.82
Rot. Bonds3

About 1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide

1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718315) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718315
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2ccc3occc3c2)C1
InChIInChI=1S/C13H14N2O4S/c14-20(17,18)11-6-13(16)15(8-11)7-9-1-2-12-10(5-9)3-4-19-12/h1-5,11H,6-8H2,(H2,14,17,18)
InChIKeyUUKZOOMZXJWPND-UHFFFAOYSA-N
XLogP0.82
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718375
1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718330
1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717902
1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718434
5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718383
1-[(2-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718297
1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718294
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717385
1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718393
5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718437
5-oxo-1-(quinolin-7-ylmethyl)pyrrolidine-3-sulfonyl chloride
CID 168712210

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide (CID 168718315) is 1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(Cc2ccc3occc3c2)C1.
What is the InChIKey of 1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is UUKZOOMZXJWPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c14-20(17,18)11-6-13(16)15(8-11)7-9-1-2-12-10(5-9)3-4-19-12/h1-5,11H,6-8H2,(H2,14,17,18).
What are the key properties of 1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide?
1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 294.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).