4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide

C18H15F3N4O3S — CID 26425964

IUPAC4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H15F3N4O3S/c19-18(20,21)12-23-29(27,28)16-8-4-14(5-9-16)24-17(26)13-2-6-15(7-3-13)25-11-1-10-22-25/h1-11,23H,12H2,(H,24,26)
InChIKeyILQTUBFQUOKEKE-UHFFFAOYSA-N
MW424.40 g/mol
LogP2.97
Rot. Bonds6

About 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide

4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide (PubChem CID 26425964) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
PubChem CID26425964
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC Name4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H15F3N4O3S/c19-18(20,21)12-23-29(27,28)16-8-4-14(5-9-16)24-17(26)13-2-6-15(7-3-13)25-11-1-10-22-25/h1-11,23H,12H2,(H,24,26)
InChIKeyILQTUBFQUOKEKE-UHFFFAOYSA-N
XLogP2.97
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 9474695
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
4-[(2-methoxyphenyl)sulfamoyl]-N-(4-pyrazol-1-ylphenyl)benzamide
CID 39463274
4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474816
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9474741
N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide
CID 25442987
N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 170125944
N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide
CID 111116155
3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474698
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid
CID 167835860

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide (CID 26425964) is 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide?
The InChIKey is ILQTUBFQUOKEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c19-18(20,21)12-23-29(27,28)16-8-4-14(5-9-16)24-17(26)13-2-6-15(7-3-13)25-11-1-10-22-25/h1-11,23H,12H2,(H,24,26).
What are the key properties of 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide?
4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide has a molecular weight of 424.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 26425964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).