2-fluoro-5-(4-sulfamoylphenyl)benzoic acid

C13H10FNO4S — CID 110453860

IUPAC2-fluoro-5-(4-sulfamoylphenyl)benzoic acid
SMILESNS(=O)(=O)c1ccc(-c2ccc(F)c(C(=O)O)c2)cc1
InChIInChI=1S/C13H10FNO4S/c14-12-6-3-9(7-11(12)13(16)17)8-1-4-10(5-2-8)20(15,18)19/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyWZVWRDLNVIWCKE-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.84
Rot. Bonds3

About 2-fluoro-5-(4-sulfamoylphenyl)benzoic acid

2-fluoro-5-(4-sulfamoylphenyl)benzoic acid (PubChem CID 110453860) has the molecular formula C13H10FNO4S and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-fluoro-5-(4-sulfamoylphenyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(4-sulfamoylphenyl)benzoic acid
PubChem CID110453860
Molecular FormulaC13H10FNO4S
Molecular Weight295.29 g/mol
Exact Mass295.03
IUPAC Name2-fluoro-5-(4-sulfamoylphenyl)benzoic acid
SMILESNS(=O)(=O)c1ccc(-c2ccc(F)c(C(=O)O)c2)cc1
InChIInChI=1S/C13H10FNO4S/c14-12-6-3-9(7-11(12)13(16)17)8-1-4-10(5-2-8)20(15,18)19/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyWZVWRDLNVIWCKE-UHFFFAOYSA-N
XLogP1.84
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-sulfamoylphenyl)benzoic acid?
The IUPAC name of 2-fluoro-5-(4-sulfamoylphenyl)benzoic acid (CID 110453860) is 2-fluoro-5-(4-sulfamoylphenyl)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(4-sulfamoylphenyl)benzoic acid?
The canonical SMILES for 2-fluoro-5-(4-sulfamoylphenyl)benzoic acid is NS(=O)(=O)c1ccc(-c2ccc(F)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-fluoro-5-(4-sulfamoylphenyl)benzoic acid?
The InChIKey is WZVWRDLNVIWCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4S/c14-12-6-3-9(7-11(12)13(16)17)8-1-4-10(5-2-8)20(15,18)19/h1-7H,(H,16,17)(H2,15,18,19).
What are the key properties of 2-fluoro-5-(4-sulfamoylphenyl)benzoic acid?
2-fluoro-5-(4-sulfamoylphenyl)benzoic acid has a molecular weight of 295.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-sulfamoylphenyl)benzoic acid is sourced from PubChem (CID 110453860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).