5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C10H6BrF2N3O4S — CID 102852558

IUPAC5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C10H6BrF2N3O4S/c11-5-1-8(7(13)2-6(5)12)16-21(19,20)9-4(10(17)18)3-14-15-9/h1-3,16H,(H,14,15)(H,17,18)
InChIKeyAPQWVVBLOMOXEH-UHFFFAOYSA-N
MW382.14 g/mol
LogP1.95
Rot. Bonds4

About 5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 102852558) has the molecular formula C10H6BrF2N3O4S and a molecular weight of 382.14 g/mol. Its IUPAC name is 5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID102852558
Molecular FormulaC10H6BrF2N3O4S
Molecular Weight382.14 g/mol
Exact Mass380.92
IUPAC Name5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C10H6BrF2N3O4S/c11-5-1-8(7(13)2-6(5)12)16-21(19,20)9-4(10(17)18)3-14-15-9/h1-3,16H,(H,14,15)(H,17,18)
InChIKeyAPQWVVBLOMOXEH-UHFFFAOYSA-N
XLogP1.95
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.14
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic 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

N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106087034
5-[(2,3,4-trifluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911015
5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 61075738
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107787367
5-[(3-fluoro-5-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 79054686
5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107571644
5-[(4-fluoro-3-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62811098
5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 79734110
5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934258
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934211
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 102852558) is 5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of 5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is APQWVVBLOMOXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2N3O4S/c11-5-1-8(7(13)2-6(5)12)16-21(19,20)9-4(10(17)18)3-14-15-9/h1-3,16H,(H,14,15)(H,17,18).
What are the key properties of 5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 382.14 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 102852558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).