3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide

C13H12FNO4S — CID 102695774

IUPAC3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(F)c2)c(O)c1
InChIInChI=1S/C13H12FNO4S/c1-19-10-5-6-12(13(16)8-10)15-20(17,18)11-4-2-3-9(14)7-11/h2-8,15-16H,1H3
InChIKeyRSJLOMMNGYGOGY-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.34
Rot. Bonds4

About 3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide

3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide (PubChem CID 102695774) has the molecular formula C13H12FNO4S and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
PubChem CID102695774
Molecular FormulaC13H12FNO4S
Molecular Weight297.31 g/mol
Exact Mass297.05
IUPAC Name3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(F)c2)c(O)c1
InChIInChI=1S/C13H12FNO4S/c1-19-10-5-6-12(13(16)8-10)15-20(17,18)11-4-2-3-9(14)7-11/h2-8,15-16H,1H3
InChIKeyRSJLOMMNGYGOGY-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.34
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 3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide (CID 102695774) is 3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(F)c2)c(O)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide?
The InChIKey is RSJLOMMNGYGOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S/c1-19-10-5-6-12(13(16)8-10)15-20(17,18)11-4-2-3-9(14)7-11/h2-8,15-16H,1H3.
What are the key properties of 3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide?
3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide has a molecular weight of 297.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 102695774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).