3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide

C13H9FN2O3S — CID 64794952

IUPAC3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cc(F)ccc2O)c1
InChIInChI=1S/C13H9FN2O3S/c14-10-4-5-13(17)12(7-10)16-20(18,19)11-3-1-2-9(6-11)8-15/h1-7,16-17H
InChIKeyZHRJORWAAVHUPU-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.20
Rot. Bonds3

About 3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide

3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide (PubChem CID 64794952) has the molecular formula C13H9FN2O3S and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
PubChem CID64794952
Molecular FormulaC13H9FN2O3S
Molecular Weight292.29 g/mol
Exact Mass292.03
IUPAC Name3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cc(F)ccc2O)c1
InChIInChI=1S/C13H9FN2O3S/c14-10-4-5-13(17)12(7-10)16-20(18,19)11-3-1-2-9(6-11)8-15/h1-7,16-17H
InChIKeyZHRJORWAAVHUPU-UHFFFAOYSA-N
XLogP2.20
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 82722836
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 103988599
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
3-fluoro-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide
CID 54937318
N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 64786986
N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 107697986
3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide
CID 66905539
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
N-(2,5-difluorophenyl)-3-hydroxybenzenesulfonamide
CID 81258697

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide (CID 64794952) is 3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2cc(F)ccc2O)c1.
What is the InChIKey of 3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The InChIKey is ZHRJORWAAVHUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O3S/c14-10-4-5-13(17)12(7-10)16-20(18,19)11-3-1-2-9(6-11)8-15/h1-7,16-17H.
What are the key properties of 3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide?
3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide has a molecular weight of 292.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 64794952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).