2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide

C8H11NO3S — CID 155577667

IUPAC2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide
SMILESNS(=O)(=O)C1CC2=C(C=CCC2)O1
InChIInChI=1S/C8H11NO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h2,4,8H,1,3,5H2,(H2,9,10,11)
InChIKeyGRFZIIWVQBZHOH-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.63
Rot. Bonds1

About 2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide

2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide (PubChem CID 155577667) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide
PubChem CID155577667
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide
SMILESNS(=O)(=O)C1CC2=C(C=CCC2)O1
InChIInChI=1S/C8H11NO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h2,4,8H,1,3,5H2,(H2,9,10,11)
InChIKeyGRFZIIWVQBZHOH-UHFFFAOYSA-N
XLogP0.63
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide?
The IUPAC name of 2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide (CID 155577667) is 2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide.
What is the SMILES notation for 2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide?
The canonical SMILES for 2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide is NS(=O)(=O)C1CC2=C(C=CCC2)O1.
What is the InChIKey of 2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide?
The InChIKey is GRFZIIWVQBZHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h2,4,8H,1,3,5H2,(H2,9,10,11).
What are the key properties of 2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide?
2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide has a molecular weight of 201.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 155577667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).