4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid

C11H9BrFN3O4S — CID 107624884

IUPAC4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1S(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H9BrFN3O4S/c1-5-10(9(11(17)18)15-14-5)21(19,20)16-8-4-6(13)2-3-7(8)12/h2-4,16H,1H3,(H,14,15)(H,17,18)
InChIKeyAPWIQHWFMREIOB-UHFFFAOYSA-N
MW378.18 g/mol
LogP2.12
Rot. Bonds4

About 4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid

4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 107624884) has the molecular formula C11H9BrFN3O4S and a molecular weight of 378.18 g/mol. Its IUPAC name is 4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID107624884
Molecular FormulaC11H9BrFN3O4S
Molecular Weight378.18 g/mol
Exact Mass376.95
IUPAC Name4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1S(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H9BrFN3O4S/c1-5-10(9(11(17)18)15-14-5)21(19,20)16-8-4-6(13)2-3-7(8)12/h2-4,16H,1H3,(H,14,15)(H,17,18)
InChIKeyAPWIQHWFMREIOB-UHFFFAOYSA-N
XLogP2.12
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 107526946
4-bromo-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 104935776
N-(2-bromo-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28939204
5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 103752852
N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103752882
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 103752842
N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 82705054
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683527
4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 60910950
3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106073368
2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 107624697

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid (CID 107624884) is 4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1S(=O)(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of 4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is APWIQHWFMREIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O4S/c1-5-10(9(11(17)18)15-14-5)21(19,20)16-8-4-6(13)2-3-7(8)12/h2-4,16H,1H3,(H,14,15)(H,17,18).
What are the key properties of 4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 378.18 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 107624884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).