5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid

C15H14N2O5S — CID 146421105

IUPAC5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid
SMILESO=C(O)C1CC2=C(CN(S(=O)(=O)c3ccc4occc4c3)C2)N1
InChIInChI=1S/C15H14N2O5S/c18-15(19)12-6-10-7-17(8-13(10)16-12)23(20,21)11-1-2-14-9(5-11)3-4-22-14/h1-5,12,16H,6-8H2,(H,18,19)
InChIKeyFHQIIKZJOQNDFV-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.14
Rot. Bonds3

About 5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid

5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid (PubChem CID 146421105) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid
PubChem CID146421105
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid
SMILESO=C(O)C1CC2=C(CN(S(=O)(=O)c3ccc4occc4c3)C2)N1
InChIInChI=1S/C15H14N2O5S/c18-15(19)12-6-10-7-17(8-13(10)16-12)23(20,21)11-1-2-14-9(5-11)3-4-22-14/h1-5,12,16H,6-8H2,(H,18,19)
InChIKeyFHQIIKZJOQNDFV-UHFFFAOYSA-N
XLogP1.14
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid?
The IUPAC name of 5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid (CID 146421105) is 5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid is O=C(O)C1CC2=C(CN(S(=O)(=O)c3ccc4occc4c3)C2)N1.
What is the InChIKey of 5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid?
The InChIKey is FHQIIKZJOQNDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c18-15(19)12-6-10-7-17(8-13(10)16-12)23(20,21)11-1-2-14-9(5-11)3-4-22-14/h1-5,12,16H,6-8H2,(H,18,19).
What are the key properties of 5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid?
5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid has a molecular weight of 334.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid is sourced from PubChem (CID 146421105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).