5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide

C11H12FNO3S — CID 122685662

IUPAC5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C11H12FNO3S/c1-7(2)13-17(14,15)11-6-8-5-9(12)3-4-10(8)16-11/h3-7,13H,1-2H3
InChIKeyGUILFYHRDVQDCA-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.26
Rot. Bonds3

About 5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide

5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide (PubChem CID 122685662) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide
PubChem CID122685662
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC Name5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C11H12FNO3S/c1-7(2)13-17(14,15)11-6-8-5-9(12)3-4-10(8)16-11/h3-7,13H,1-2H3
InChIKeyGUILFYHRDVQDCA-UHFFFAOYSA-N
XLogP2.26
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide?
The IUPAC name of 5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide (CID 122685662) is 5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide.
What is the SMILES notation for 5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide?
The canonical SMILES for 5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide is CC(C)NS(=O)(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide?
The InChIKey is GUILFYHRDVQDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c1-7(2)13-17(14,15)11-6-8-5-9(12)3-4-10(8)16-11/h3-7,13H,1-2H3.
What are the key properties of 5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide?
5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide has a molecular weight of 257.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 122685662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).