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

C17H13F3N4O3S — CID 22315476

IUPAC4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H13F3N4O3S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(21)25)24(23-15)12-5-7-13(8-6-12)28(22,26)27/h1-9H,(H2,21,25)(H2,22,26,27)
InChIKeyXXMOQENPYFACQG-UHFFFAOYSA-N
MW410.38 g/mol
LogP2.30
Rot. Bonds4

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

4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 22315476) has the molecular formula C17H13F3N4O3S and a molecular weight of 410.38 g/mol. Its IUPAC name is 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID22315476
Molecular FormulaC17H13F3N4O3S
Molecular Weight410.38 g/mol
Exact Mass410.07
IUPAC Name4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H13F3N4O3S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(21)25)24(23-15)12-5-7-13(8-6-12)28(22,26)27/h1-9H,(H2,21,25)(H2,22,26,27)
InChIKeyXXMOQENPYFACQG-UHFFFAOYSA-N
XLogP2.30
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 22315476) is 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is XXMOQENPYFACQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(21)25)24(23-15)12-5-7-13(8-6-12)28(22,26)27/h1-9H,(H2,21,25)(H2,22,26,27).
What are the key properties of 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 410.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 22315476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).