4-fluoro-N-hydroxybenzenesulfonamide

C6H6FNO3S — CID 12635074

IUPAC4-fluoro-N-hydroxybenzenesulfonamide
SMILESO=S(=O)(NO)c1ccc(F)cc1
InChIInChI=1S/C6H6FNO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
InChIKeyBLBYFZDCNCBJTH-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.49
Rot. Bonds2

About 4-fluoro-N-hydroxybenzenesulfonamide

4-fluoro-N-hydroxybenzenesulfonamide (PubChem CID 12635074) has the molecular formula C6H6FNO3S and a molecular weight of 191.18 g/mol. Its IUPAC name is 4-fluoro-N-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-hydroxybenzenesulfonamide
PubChem CID12635074
Molecular FormulaC6H6FNO3S
Molecular Weight191.18 g/mol
Exact Mass191.01
IUPAC Name4-fluoro-N-hydroxybenzenesulfonamide
SMILESO=S(=O)(NO)c1ccc(F)cc1
InChIInChI=1S/C6H6FNO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H
InChIKeyBLBYFZDCNCBJTH-UHFFFAOYSA-N
XLogP0.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-hydroxybenzenesulfonamide?
The IUPAC name of 4-fluoro-N-hydroxybenzenesulfonamide (CID 12635074) is 4-fluoro-N-hydroxybenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-hydroxybenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-hydroxybenzenesulfonamide is O=S(=O)(NO)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-hydroxybenzenesulfonamide?
The InChIKey is BLBYFZDCNCBJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H.
What are the key properties of 4-fluoro-N-hydroxybenzenesulfonamide?
4-fluoro-N-hydroxybenzenesulfonamide has a molecular weight of 191.18 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-hydroxybenzenesulfonamide is sourced from PubChem (CID 12635074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).