4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide

C23H16ClF3N4O3S — CID 68656093

IUPAC4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H16ClF3N4O3S/c24-16-5-1-3-7-18(16)31-19(13-21(30-31)23(25,26)27)14-9-11-15(12-10-14)22(32)29-17-6-2-4-8-20(17)35(28,33)34/h1-13H,(H,29,32)(H2,28,33,34)
InChIKeyUTVIERLGJHVIHG-UHFFFAOYSA-N
MW520.92 g/mol
LogP5.11
Rot. Bonds5

About 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide (PubChem CID 68656093) has the molecular formula C23H16ClF3N4O3S and a molecular weight of 520.92 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide
PubChem CID68656093
Molecular FormulaC23H16ClF3N4O3S
Molecular Weight520.92 g/mol
Exact Mass520.06
IUPAC Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H16ClF3N4O3S/c24-16-5-1-3-7-18(16)31-19(13-21(30-31)23(25,26)27)14-9-11-15(12-10-14)22(32)29-17-6-2-4-8-20(17)35(28,33)34/h1-13H,(H,29,32)(H2,28,33,34)
InChIKeyUTVIERLGJHVIHG-UHFFFAOYSA-N
XLogP5.11
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.92
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide?
The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide (CID 68656093) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide?
The InChIKey is UTVIERLGJHVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O3S/c24-16-5-1-3-7-18(16)31-19(13-21(30-31)23(25,26)27)14-9-11-15(12-10-14)22(32)29-17-6-2-4-8-20(17)35(28,33)34/h1-13H,(H,29,32)(H2,28,33,34).
What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide?
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide has a molecular weight of 520.92 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-sulfamoylphenyl)benzamide is sourced from PubChem (CID 68656093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).