4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid

C11H8FN3O4S — CID 104856668

IUPAC4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(S(=O)(=O)Nc2cncnc2)c1
InChIInChI=1S/C11H8FN3O4S/c12-9-2-1-7(11(16)17)3-10(9)20(18,19)15-8-4-13-6-14-5-8/h1-6,15H,(H,16,17)
InChIKeyGZNNYXPAPVNFKR-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.11
Rot. Bonds4

About 4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid

4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid (PubChem CID 104856668) has the molecular formula C11H8FN3O4S and a molecular weight of 297.27 g/mol. Its IUPAC name is 4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid
PubChem CID104856668
Molecular FormulaC11H8FN3O4S
Molecular Weight297.27 g/mol
Exact Mass297.02
IUPAC Name4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(S(=O)(=O)Nc2cncnc2)c1
InChIInChI=1S/C11H8FN3O4S/c12-9-2-1-7(11(16)17)3-10(9)20(18,19)15-8-4-13-6-14-5-8/h1-6,15H,(H,16,17)
InChIKeyGZNNYXPAPVNFKR-UHFFFAOYSA-N
XLogP1.11
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-bromo-3-pyridinyl)sulfamoyl]-4-fluorobenzoic acid
CID 103777888
3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
CID 79040867
3-(dimethylaminosulfamoyl)-4-fluorobenzoic acid
CID 83005612
3-fluoro-4-(phenylsulfamoyl)benzoic acid
CID 79040936
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584612
3-(2,2-difluoroethylsulfamoyl)-4-fluorobenzoic acid
CID 113303553
3-(aminomethyl)-2,4-difluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 106088649
3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid
CID 43510389
4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
CID 107594770
4-fluoro-3-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43084932
4-fluoro-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
CID 30056496
4-fluoro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 61067117

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid (CID 104856668) is 4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid is O=C(O)c1ccc(F)c(S(=O)(=O)Nc2cncnc2)c1.
What is the InChIKey of 4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid?
The InChIKey is GZNNYXPAPVNFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O4S/c12-9-2-1-7(11(16)17)3-10(9)20(18,19)15-8-4-13-6-14-5-8/h1-6,15H,(H,16,17).
What are the key properties of 4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid?
4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid has a molecular weight of 297.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 104856668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).