2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide

C18H14F4N4O3S — CID 67646279

IUPAC2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide
SMILESNC(=O)C(c1ccc(S(N)(=O)=O)cc1)n1ncc(-c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C18H14F4N4O3S/c19-12-5-1-10(2-6-12)14-9-25-26(16(14)18(20,21)22)15(17(23)27)11-3-7-13(8-4-11)30(24,28)29/h1-9,15H,(H2,23,27)(H2,24,28,29)
InChIKeyWLAHCWKMCMWFSA-UHFFFAOYSA-N
MW442.39 g/mol
LogP2.43
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide

2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 67646279) has the molecular formula C18H14F4N4O3S and a molecular weight of 442.39 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID67646279
Molecular FormulaC18H14F4N4O3S
Molecular Weight442.39 g/mol
Exact Mass442.07
IUPAC Name2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide
SMILESNC(=O)C(c1ccc(S(N)(=O)=O)cc1)n1ncc(-c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C18H14F4N4O3S/c19-12-5-1-10(2-6-12)14-9-25-26(16(14)18(20,21)22)15(17(23)27)11-3-7-13(8-4-11)30(24,28)29/h1-9,15H,(H2,23,27)(H2,24,28,29)
InChIKeyWLAHCWKMCMWFSA-UHFFFAOYSA-N
XLogP2.43
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US11236046, Example 87
CID 118019679
4-(N,N-dimethylsulfamoyl)-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)benzamide
CID 71808045
4-fluoro-N-[(2S)-4-methyl-1-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]anilino]-1-oxopentan-2-yl]benzamide
CID 165121963
US11274090, Example 4 Isomer 1
CID 139426241
US11274090, Example 4 Isomer 2
CID 156273077
[4-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 15380228
2-[4-(3-Fluoro-4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetic acid
CID 17816986
2-[4-(4-Fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetic acid
CID 17817050
2-[4-Phenyl-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetic acid
CID 17817147
2-[4-(4-Fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetic acid
CID 18914553
4-[1-(Cyanomethyl)-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
CID 19355359
2-[4-Pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19355406

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide (CID 67646279) is 2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide is NC(=O)C(c1ccc(S(N)(=O)=O)cc1)n1ncc(-c2ccc(F)cc2)c1C(F)(F)F.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is WLAHCWKMCMWFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O3S/c19-12-5-1-10(2-6-12)14-9-25-26(16(14)18(20,21)22)15(17(23)27)11-3-7-13(8-4-11)30(24,28)29/h1-9,15H,(H2,23,27)(H2,24,28,29).
What are the key properties of 2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide?
2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 442.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 67646279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).