4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C22H21F3N4O4S — CID 25261121

IUPAC4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cncc(S(N)(=O)=O)c2)c(Oc2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C22H21F3N4O4S/c1-21(2,3)13-7-8-16(20(30)28-14-10-15(12-27-11-14)34(26,31)32)17(9-13)33-19-6-4-5-18(29-19)22(23,24)25/h4-12H,1-3H3,(H,28,30)(H2,26,31,32)
InChIKeyCINDTQLCHMIQFL-UHFFFAOYSA-N
MW494.50 g/mol
LogP4.48
Rot. Bonds5

About 4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 25261121) has the molecular formula C22H21F3N4O4S and a molecular weight of 494.50 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID25261121
Molecular FormulaC22H21F3N4O4S
Molecular Weight494.50 g/mol
Exact Mass494.12
IUPAC Name4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cncc(S(N)(=O)=O)c2)c(Oc2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C22H21F3N4O4S/c1-21(2,3)13-7-8-16(20(30)28-14-10-15(12-27-11-14)34(26,31)32)17(9-13)33-19-6-4-5-18(29-19)22(23,24)25/h4-12H,1-3H3,(H,28,30)(H2,26,31,32)
InChIKeyCINDTQLCHMIQFL-UHFFFAOYSA-N
XLogP4.48
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of 4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 25261121) is 4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cncc(S(N)(=O)=O)c2)c(Oc2cccc(C(F)(F)F)n2)c1.
What is the InChIKey of 4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is CINDTQLCHMIQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O4S/c1-21(2,3)13-7-8-16(20(30)28-14-10-15(12-27-11-14)34(26,31)32)17(9-13)33-19-6-4-5-18(29-19)22(23,24)25/h4-12H,1-3H3,(H,28,30)(H2,26,31,32).
What are the key properties of 4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 494.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-sulfamoyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 25261121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).