5-fluoro-2-(methanesulfonamido)benzoic acid

C8H8FNO4S — CID 24709579

IUPAC5-fluoro-2-(methanesulfonamido)benzoic acid
SMILESCS(=O)(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C8H8FNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
InChIKeyQDIQHFNTURTELA-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.90
Rot. Bonds3

About 5-fluoro-2-(methanesulfonamido)benzoic acid

5-fluoro-2-(methanesulfonamido)benzoic acid (PubChem CID 24709579) has the molecular formula C8H8FNO4S and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-fluoro-2-(methanesulfonamido)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(methanesulfonamido)benzoic acid
PubChem CID24709579
Molecular FormulaC8H8FNO4S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name5-fluoro-2-(methanesulfonamido)benzoic acid
SMILESCS(=O)(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C8H8FNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
InChIKeyQDIQHFNTURTELA-UHFFFAOYSA-N
XLogP0.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methanesulfonamido)benzoic acid?
The IUPAC name of 5-fluoro-2-(methanesulfonamido)benzoic acid (CID 24709579) is 5-fluoro-2-(methanesulfonamido)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(methanesulfonamido)benzoic acid?
The canonical SMILES for 5-fluoro-2-(methanesulfonamido)benzoic acid is CS(=O)(=O)Nc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-(methanesulfonamido)benzoic acid?
The InChIKey is QDIQHFNTURTELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12).
What are the key properties of 5-fluoro-2-(methanesulfonamido)benzoic acid?
5-fluoro-2-(methanesulfonamido)benzoic acid has a molecular weight of 233.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(methanesulfonamido)benzoic acid is sourced from PubChem (CID 24709579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).