5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C10H6Cl2FN3O4S — CID 107571644

IUPAC5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C10H6Cl2FN3O4S/c11-6-1-4(2-7(12)8(6)13)16-21(19,20)9-5(10(17)18)3-14-15-9/h1-3,16H,(H,14,15)(H,17,18)
InChIKeyPNXNIQUZCVZESI-UHFFFAOYSA-N
MW354.15 g/mol
LogP2.35
Rot. Bonds4

About 5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 107571644) has the molecular formula C10H6Cl2FN3O4S and a molecular weight of 354.15 g/mol. Its IUPAC name is 5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID107571644
Molecular FormulaC10H6Cl2FN3O4S
Molecular Weight354.15 g/mol
Exact Mass352.94
IUPAC Name5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C10H6Cl2FN3O4S/c11-6-1-4(2-7(12)8(6)13)16-21(19,20)9-5(10(17)18)3-14-15-9/h1-3,16H,(H,14,15)(H,17,18)
InChIKeyPNXNIQUZCVZESI-UHFFFAOYSA-N
XLogP2.35
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-[(3,5-dichloro-4-fluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 107571644) is 5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)Nc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is PNXNIQUZCVZESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3O4S/c11-6-1-4(2-7(12)8(6)13)16-21(19,20)9-5(10(17)18)3-14-15-9/h1-3,16H,(H,14,15)(H,17,18).
What are the key properties of 5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 354.15 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 107571644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).