3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

C21H22F3N5O4S — CID 34156180

IUPAC3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C21H22F3N5O4S/c1-33-16-8-6-13(10-17(16)34(31,32)28-15-4-2-3-5-15)20(30)25-11-19-27-26-18-9-7-14(12-29(18)19)21(22,23)24/h6-10,12,15,28H,2-5,11H2,1H3,(H,25,30)
InChIKeyNBTMOKGGVURSKW-UHFFFAOYSA-N
MW497.50 g/mol
LogP2.91
Rot. Bonds7

About 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (PubChem CID 34156180) has the molecular formula C21H22F3N5O4S and a molecular weight of 497.50 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID34156180
Molecular FormulaC21H22F3N5O4S
Molecular Weight497.50 g/mol
Exact Mass497.13
IUPAC Name3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C21H22F3N5O4S/c1-33-16-8-6-13(10-17(16)34(31,32)28-15-4-2-3-5-15)20(30)25-11-19-27-26-18-9-7-14(12-29(18)19)21(22,23)24/h6-10,12,15,28H,2-5,11H2,1H3,(H,25,30)
InChIKeyNBTMOKGGVURSKW-UHFFFAOYSA-N
XLogP2.91
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 34156180) is 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is COc1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is NBTMOKGGVURSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O4S/c1-33-16-8-6-13(10-17(16)34(31,32)28-15-4-2-3-5-15)20(30)25-11-19-27-26-18-9-7-14(12-29(18)19)21(22,23)24/h6-10,12,15,28H,2-5,11H2,1H3,(H,25,30).
What are the key properties of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 497.50 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 34156180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).