2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid

C13H10FNO4S — CID 43323590

IUPAC2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Cc2ccccn2)ccc1F
InChIInChI=1S/C13H10FNO4S/c14-12-5-4-10(7-11(12)13(16)17)20(18,19)8-9-3-1-2-6-15-9/h1-7H,8H2,(H,16,17)
InChIKeyDDSXFGUSYBPEBV-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.89
Rot. Bonds4

About 2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid

2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid (PubChem CID 43323590) has the molecular formula C13H10FNO4S and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid
PubChem CID43323590
Molecular FormulaC13H10FNO4S
Molecular Weight295.29 g/mol
Exact Mass295.03
IUPAC Name2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Cc2ccccn2)ccc1F
InChIInChI=1S/C13H10FNO4S/c14-12-5-4-10(7-11(12)13(16)17)20(18,19)8-9-3-1-2-6-15-9/h1-7H,8H2,(H,16,17)
InChIKeyDDSXFGUSYBPEBV-UHFFFAOYSA-N
XLogP1.89
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-[(2-methylphenyl)methylsulfonyl]benzoic acid
CID 43323588
3-fluoro-4-(pyridin-2-ylmethylsulfonyl)benzoic acid
CID 79186723
2-fluoro-5-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic acid
CID 43323578
3-fluoro-5-(pyridin-2-ylmethylsulfonyl)aniline
CID 81183876
2-fluoro-5-(2,2,2-trifluoroethylsulfonyl)benzoic acid
CID 43323585
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]-2-fluorobenzoic acid
CID 43323577
3-fluoro-4-(pyridin-2-ylmethylsulfonyl)aniline
CID 81192175
2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191402
2-fluoro-5-pyridin-2-ylbenzoic acid
CID 63679251
pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 25311392
2-fluoro-5-(6-hydroxyhexylsulfonyl)benzoic acid
CID 107704282
2-bromo-5-[(6-methyl-2-pyridinyl)methylsulfonyl]benzoic acid
CID 79263175

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid?
The IUPAC name of 2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid (CID 43323590) is 2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid?
The canonical SMILES for 2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)Cc2ccccn2)ccc1F.
What is the InChIKey of 2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid?
The InChIKey is DDSXFGUSYBPEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4S/c14-12-5-4-10(7-11(12)13(16)17)20(18,19)8-9-3-1-2-6-15-9/h1-7H,8H2,(H,16,17).
What are the key properties of 2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid?
2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid has a molecular weight of 295.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid is sourced from PubChem (CID 43323590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).