2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid

C11H10FN3O4S — CID 39874323

IUPAC2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
SMILESCn1cc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cn1
InChIInChI=1S/C11H10FN3O4S/c1-15-6-7(5-13-15)14-20(18,19)8-2-3-10(12)9(4-8)11(16)17/h2-6,14H,1H3,(H,16,17)
InChIKeyUVMWWSQQYAAGGB-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.06
Rot. Bonds4

About 2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid

2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid (PubChem CID 39874323) has the molecular formula C11H10FN3O4S and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
PubChem CID39874323
Molecular FormulaC11H10FN3O4S
Molecular Weight299.28 g/mol
Exact Mass299.04
IUPAC Name2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
SMILESCn1cc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cn1
InChIInChI=1S/C11H10FN3O4S/c1-15-6-7(5-13-15)14-20(18,19)8-2-3-10(12)9(4-8)11(16)17/h2-6,14H,1H3,(H,16,17)
InChIKeyUVMWWSQQYAAGGB-UHFFFAOYSA-N
XLogP1.06
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-Benzyl-1H-pyrazol-3-yl)-benzenesulfonylamino]-4-fluoro-benzoic acid
CID 44604808
2-[[3-(1-Methylpyrazol-4-yl)phenyl]sulfonylamino]benzoic acid
CID 44605018
2-fluoro-5-(N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)sulfamoyl)benzoic acid
CID 71810317
4-Fluoro-3-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]benzoic acid
CID 72114195
3-[4-[[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]sulfamoyl]phenyl]propanoic acid
CID 72132756
4-[[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]sulfamoyl]benzoic acid
CID 72132808
4-[(2-Fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]benzoic acid
CID 72139405
US12384753, Example 54
CID 167475451
3-[(isopropylamino)sulfonyl]-5-(1H-pyrazol-1-yl)benzoic acid
CID 56866874
methyl 4-(N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)sulfamoyl)benzoate
CID 72719678
2-[(1-Ethylpyrazol-4-yl)sulfonylamino]-5-fluoro-3-methylbenzoic acid
CID 53599237
4-[(1-Ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 56797609

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid (CID 39874323) is 2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid is Cn1cc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cn1.
What is the InChIKey of 2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid?
The InChIKey is UVMWWSQQYAAGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O4S/c1-15-6-7(5-13-15)14-20(18,19)8-2-3-10(12)9(4-8)11(16)17/h2-6,14H,1H3,(H,16,17).
What are the key properties of 2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid?
2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid has a molecular weight of 299.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 39874323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).