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

C11H9ClFN3O4S — CID 107526946

IUPAC4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1S(=O)(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C11H9ClFN3O4S/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)
InChIKeyMSPVMNMWIQFSGD-UHFFFAOYSA-N
MW333.73 g/mol
LogP2.01
Rot. Bonds4

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

4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 107526946) has the molecular formula C11H9ClFN3O4S and a molecular weight of 333.73 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID107526946
Molecular FormulaC11H9ClFN3O4S
Molecular Weight333.73 g/mol
Exact Mass333.00
IUPAC Name4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1S(=O)(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C11H9ClFN3O4S/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)
InChIKeyMSPVMNMWIQFSGD-UHFFFAOYSA-N
XLogP2.01
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 107624884
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107528083
N-(2-bromo-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28939204
N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64787560
N-(2-chloro-5-fluorophenyl)ethanesulfonamide
CID 107531524
3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107528825
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 60910950
4-bromo-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 104935776
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107528823

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid (CID 107526946) is 4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1S(=O)(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of 4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is MSPVMNMWIQFSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O4S/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-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 333.73 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 107526946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).