3-fluoro-4-hydroxybenzenesulfonamide

C6H6FNO3S — CID 79001936

IUPAC3-fluoro-4-hydroxybenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C6H6FNO3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,(H2,8,10,11)
InChIKeyPLRUFMILEHPVPP-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.18
Rot. Bonds1

About 3-fluoro-4-hydroxybenzenesulfonamide

3-fluoro-4-hydroxybenzenesulfonamide (PubChem CID 79001936) has the molecular formula C6H6FNO3S and a molecular weight of 191.18 g/mol. Its IUPAC name is 3-fluoro-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxybenzenesulfonamide
PubChem CID79001936
Molecular FormulaC6H6FNO3S
Molecular Weight191.18 g/mol
Exact Mass191.01
IUPAC Name3-fluoro-4-hydroxybenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C6H6FNO3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,(H2,8,10,11)
InChIKeyPLRUFMILEHPVPP-UHFFFAOYSA-N
XLogP0.18
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxybenzenesulfonamide?
The IUPAC name of 3-fluoro-4-hydroxybenzenesulfonamide (CID 79001936) is 3-fluoro-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-hydroxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-4-hydroxybenzenesulfonamide is NS(=O)(=O)c1ccc(O)c(F)c1.
What is the InChIKey of 3-fluoro-4-hydroxybenzenesulfonamide?
The InChIKey is PLRUFMILEHPVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,(H2,8,10,11).
What are the key properties of 3-fluoro-4-hydroxybenzenesulfonamide?
3-fluoro-4-hydroxybenzenesulfonamide has a molecular weight of 191.18 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 79001936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).