2-pentoxy-3H-1-benzofuran-2-sulfonamide

C13H19NO4S — CID 70383376

IUPAC2-pentoxy-3H-1-benzofuran-2-sulfonamide
SMILESCCCCCOC1(S(N)(=O)=O)Cc2ccccc2O1
InChIInChI=1S/C13H19NO4S/c1-2-3-6-9-17-13(19(14,15)16)10-11-7-4-5-8-12(11)18-13/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,14,15,16)
InChIKeyGAXYUQOIMGOXOF-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.77
Rot. Bonds6

About 2-pentoxy-3H-1-benzofuran-2-sulfonamide

2-pentoxy-3H-1-benzofuran-2-sulfonamide (PubChem CID 70383376) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-pentoxy-3H-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound Name2-pentoxy-3H-1-benzofuran-2-sulfonamide
PubChem CID70383376
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name2-pentoxy-3H-1-benzofuran-2-sulfonamide
SMILESCCCCCOC1(S(N)(=O)=O)Cc2ccccc2O1
InChIInChI=1S/C13H19NO4S/c1-2-3-6-9-17-13(19(14,15)16)10-11-7-4-5-8-12(11)18-13/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,14,15,16)
InChIKeyGAXYUQOIMGOXOF-UHFFFAOYSA-N
XLogP1.77
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-3H-1-benzofuran-2-sulfonamide?
The IUPAC name of 2-pentoxy-3H-1-benzofuran-2-sulfonamide (CID 70383376) is 2-pentoxy-3H-1-benzofuran-2-sulfonamide.
What is the SMILES notation for 2-pentoxy-3H-1-benzofuran-2-sulfonamide?
The canonical SMILES for 2-pentoxy-3H-1-benzofuran-2-sulfonamide is CCCCCOC1(S(N)(=O)=O)Cc2ccccc2O1.
What is the InChIKey of 2-pentoxy-3H-1-benzofuran-2-sulfonamide?
The InChIKey is GAXYUQOIMGOXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-3-6-9-17-13(19(14,15)16)10-11-7-4-5-8-12(11)18-13/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,14,15,16).
What are the key properties of 2-pentoxy-3H-1-benzofuran-2-sulfonamide?
2-pentoxy-3H-1-benzofuran-2-sulfonamide has a molecular weight of 285.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-3H-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 70383376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).