3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide

C18H14F3N3O3S — CID 110166764

IUPAC3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H14F3N3O3S/c19-18(20,21)15-6-2-7-16(11-15)28(26,27)23-17(25)14-5-1-4-13(10-14)12-24-9-3-8-22-24/h1-11H,12H2,(H,23,25)
InChIKeyDBFCYSHHMLTKGS-UHFFFAOYSA-N
MW409.39 g/mol
LogP3.07
Rot. Bonds5

About 3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide

3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide (PubChem CID 110166764) has the molecular formula C18H14F3N3O3S and a molecular weight of 409.39 g/mol. Its IUPAC name is 3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide.

Molecular Properties

Compound Name3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
PubChem CID110166764
Molecular FormulaC18H14F3N3O3S
Molecular Weight409.39 g/mol
Exact Mass409.07
IUPAC Name3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H14F3N3O3S/c19-18(20,21)15-6-2-7-16(11-15)28(26,27)23-17(25)14-5-1-4-13(10-14)12-24-9-3-8-22-24/h1-11H,12H2,(H,23,25)
InChIKeyDBFCYSHHMLTKGS-UHFFFAOYSA-N
XLogP3.07
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide
CID 110166691
4-methyl-3-pyrrol-1-yl-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166762
3-methyl-4-pyrrol-1-yl-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166763
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25346546
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 38944455
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55914407
3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46423962
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285210
N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70748260
3-[3-(pyrazol-1-ylmethyl)phenyl]benzoic acid
CID 142326100

Frequently Asked Questions

What is the IUPAC name of 3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide?
The IUPAC name of 3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide (CID 110166764) is 3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide.
What is the SMILES notation for 3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide?
The canonical SMILES for 3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide is O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc(Cn2cccn2)c1.
What is the InChIKey of 3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide?
The InChIKey is DBFCYSHHMLTKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3S/c19-18(20,21)15-6-2-7-16(11-15)28(26,27)23-17(25)14-5-1-4-13(10-14)12-24-9-3-8-22-24/h1-11H,12H2,(H,23,25).
What are the key properties of 3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide?
3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide has a molecular weight of 409.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide is sourced from PubChem (CID 110166764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).