N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide

C14H10FNO4S — CID 86779062

IUPACN-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1O)c1cc2ccccc2o1
InChIInChI=1S/C14H10FNO4S/c15-10-5-6-12(17)11(8-10)16-21(18,19)14-7-9-3-1-2-4-13(9)20-14/h1-8,16-17H
InChIKeyAWCQJFZVFDYZNI-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.08
Rot. Bonds3

About N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide

N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide (PubChem CID 86779062) has the molecular formula C14H10FNO4S and a molecular weight of 307.30 g/mol. Its IUPAC name is N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide
PubChem CID86779062
Molecular FormulaC14H10FNO4S
Molecular Weight307.30 g/mol
Exact Mass307.03
IUPAC NameN-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1O)c1cc2ccccc2o1
InChIInChI=1S/C14H10FNO4S/c15-10-5-6-12(17)11(8-10)16-21(18,19)14-7-9-3-1-2-4-13(9)20-14/h1-8,16-17H
InChIKeyAWCQJFZVFDYZNI-UHFFFAOYSA-N
XLogP3.08
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide?
The IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide (CID 86779062) is N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide is O=S(=O)(Nc1cc(F)ccc1O)c1cc2ccccc2o1.
What is the InChIKey of N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide?
The InChIKey is AWCQJFZVFDYZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4S/c15-10-5-6-12(17)11(8-10)16-21(18,19)14-7-9-3-1-2-4-13(9)20-14/h1-8,16-17H.
What are the key properties of N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide?
N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide has a molecular weight of 307.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 86779062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).