4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid

C7H6FNO5S — CID 155168010

IUPAC4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)c(O)cc1F
InChIInChI=1S/C7H6FNO5S/c8-4-2-5(10)3(7(11)12)1-6(4)15(9,13)14/h1-2,10H,(H,11,12)(H2,9,13,14)
InChIKeyZHJWJVXBFYCYFY-UHFFFAOYSA-N
MW235.19 g/mol
LogP-0.12
Rot. Bonds2

About 4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid

4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid (PubChem CID 155168010) has the molecular formula C7H6FNO5S and a molecular weight of 235.19 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid
PubChem CID155168010
Molecular FormulaC7H6FNO5S
Molecular Weight235.19 g/mol
Exact Mass235.00
IUPAC Name4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)c(O)cc1F
InChIInChI=1S/C7H6FNO5S/c8-4-2-5(10)3(7(11)12)1-6(4)15(9,13)14/h1-2,10H,(H,11,12)(H2,9,13,14)
InChIKeyZHJWJVXBFYCYFY-UHFFFAOYSA-N
XLogP-0.12
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid?
The IUPAC name of 4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid (CID 155168010) is 4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid.
What is the SMILES notation for 4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid?
The canonical SMILES for 4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid is NS(=O)(=O)c1cc(C(=O)O)c(O)cc1F.
What is the InChIKey of 4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid?
The InChIKey is ZHJWJVXBFYCYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO5S/c8-4-2-5(10)3(7(11)12)1-6(4)15(9,13)14/h1-2,10H,(H,11,12)(H2,9,13,14).
What are the key properties of 4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid?
4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid has a molecular weight of 235.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-5-sulfamoylbenzoic acid is sourced from PubChem (CID 155168010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).