N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide

C22H17F3N4O4S — CID 66610152

IUPACN-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide
SMILESO=C(NCc1ccc2nccn2c1)c1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C22H17F3N4O4S/c23-22(24,25)33-18-3-1-2-17(12-18)28-34(31,32)19-7-5-16(6-8-19)21(30)27-13-15-4-9-20-26-10-11-29(20)14-15/h1-12,14,28H,13H2,(H,27,30)
InChIKeyVXFNKKHHDBEEGB-UHFFFAOYSA-N
MW490.46 g/mol
LogP3.96
Rot. Bonds7

About N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide

N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide (PubChem CID 66610152) has the molecular formula C22H17F3N4O4S and a molecular weight of 490.46 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide
PubChem CID66610152
Molecular FormulaC22H17F3N4O4S
Molecular Weight490.46 g/mol
Exact Mass490.09
IUPAC NameN-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide
SMILESO=C(NCc1ccc2nccn2c1)c1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C22H17F3N4O4S/c23-22(24,25)33-18-3-1-2-17(12-18)28-34(31,32)19-7-5-16(6-8-19)21(30)27-13-15-4-9-20-26-10-11-29(20)14-15/h1-12,14,28H,13H2,(H,27,30)
InChIKeyVXFNKKHHDBEEGB-UHFFFAOYSA-N
XLogP3.96
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide (CID 66610152) is N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide is O=C(NCc1ccc2nccn2c1)c1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide?
The InChIKey is VXFNKKHHDBEEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O4S/c23-22(24,25)33-18-3-1-2-17(12-18)28-34(31,32)19-7-5-16(6-8-19)21(30)27-13-15-4-9-20-26-10-11-29(20)14-15/h1-12,14,28H,13H2,(H,27,30).
What are the key properties of N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide?
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide has a molecular weight of 490.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-6-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 66610152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).