4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid

C17H13F2N3O4S — CID 10668272

IUPAC4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H13F2N3O4S/c18-16(19)14-9-15(10-1-3-11(4-2-10)17(23)24)22(21-14)12-5-7-13(8-6-12)27(20,25)26/h1-9,16H,(H,23,24)(H2,20,25,26)
InChIKeyUIYSOVBHBZVODQ-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.82
Rot. Bonds5

About 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid

4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid (PubChem CID 10668272) has the molecular formula C17H13F2N3O4S and a molecular weight of 393.37 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid
PubChem CID10668272
Molecular FormulaC17H13F2N3O4S
Molecular Weight393.37 g/mol
Exact Mass393.06
IUPAC Name4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H13F2N3O4S/c18-16(19)14-9-15(10-1-3-11(4-2-10)17(23)24)22(21-14)12-5-7-13(8-6-12)27(20,25)26/h1-9,16H,(H,23,24)(H2,20,25,26)
InChIKeyUIYSOVBHBZVODQ-UHFFFAOYSA-N
XLogP2.82
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid?
The IUPAC name of 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid (CID 10668272) is 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid.
What is the SMILES notation for 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid?
The canonical SMILES for 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid is NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid?
The InChIKey is UIYSOVBHBZVODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O4S/c18-16(19)14-9-15(10-1-3-11(4-2-10)17(23)24)22(21-14)12-5-7-13(8-6-12)27(20,25)26/h1-9,16H,(H,23,24)(H2,20,25,26).
What are the key properties of 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid?
4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid has a molecular weight of 393.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid is sourced from PubChem (CID 10668272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).