2-fluoro-4-sulfamoylbenzenesulfonic acid

C6H6FNO5S2 — CID 174894500

IUPAC2-fluoro-4-sulfamoylbenzenesulfonic acid
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)O)c(F)c1
InChIInChI=1S/C6H6FNO5S2/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13/h1-3H,(H2,8,9,10)(H,11,12,13)
InChIKeyRYZJZLAAMZNJAZ-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.28
Rot. Bonds2

About 2-fluoro-4-sulfamoylbenzenesulfonic acid

2-fluoro-4-sulfamoylbenzenesulfonic acid (PubChem CID 174894500) has the molecular formula C6H6FNO5S2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-fluoro-4-sulfamoylbenzenesulfonic acid.

Molecular Properties

Compound Name2-fluoro-4-sulfamoylbenzenesulfonic acid
PubChem CID174894500
Molecular FormulaC6H6FNO5S2
Molecular Weight255.25 g/mol
Exact Mass254.97
IUPAC Name2-fluoro-4-sulfamoylbenzenesulfonic acid
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)O)c(F)c1
InChIInChI=1S/C6H6FNO5S2/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13/h1-3H,(H2,8,9,10)(H,11,12,13)
InChIKeyRYZJZLAAMZNJAZ-UHFFFAOYSA-N
XLogP-0.28
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-sulfamoylbenzenesulfonic acid
CID 152765505
1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide
CID 47358758
2,4-difluorobenzenesulfonic acid;hydroiodide
CID 172866056
1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide
CID 47358633
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide
CID 61384433
CID 131852252
CID 131852252
4-cyano-2-fluorobenzenesulfonic acid
CID 58462884
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 61129967
3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide
CID 70968674
2-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836011
2-fluoro-1-N-pent-4-ynylbenzene-1,4-disulfonamide
CID 113242742

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-sulfamoylbenzenesulfonic acid?
The IUPAC name of 2-fluoro-4-sulfamoylbenzenesulfonic acid (CID 174894500) is 2-fluoro-4-sulfamoylbenzenesulfonic acid.
What is the SMILES notation for 2-fluoro-4-sulfamoylbenzenesulfonic acid?
The canonical SMILES for 2-fluoro-4-sulfamoylbenzenesulfonic acid is NS(=O)(=O)c1ccc(S(=O)(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-sulfamoylbenzenesulfonic acid?
The InChIKey is RYZJZLAAMZNJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO5S2/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13/h1-3H,(H2,8,9,10)(H,11,12,13).
What are the key properties of 2-fluoro-4-sulfamoylbenzenesulfonic acid?
2-fluoro-4-sulfamoylbenzenesulfonic acid has a molecular weight of 255.25 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-sulfamoylbenzenesulfonic acid is sourced from PubChem (CID 174894500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).