N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

C18H20F3N5O2S — CID 121260916

IUPACN,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnc(NCc3ccc(C(F)(F)F)cc3)n2c1
InChIInChI=1S/C18H20F3N5O2S/c1-3-25(4-2)29(27,28)15-9-10-16-23-24-17(26(16)12-15)22-11-13-5-7-14(8-6-13)18(19,20)21/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyQPFLOSKUBFDXCZ-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.39
Rot. Bonds7

About N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (PubChem CID 121260916) has the molecular formula C18H20F3N5O2S and a molecular weight of 427.45 g/mol. Its IUPAC name is N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
PubChem CID121260916
Molecular FormulaC18H20F3N5O2S
Molecular Weight427.45 g/mol
Exact Mass427.13
IUPAC NameN,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnc(NCc3ccc(C(F)(F)F)cc3)n2c1
InChIInChI=1S/C18H20F3N5O2S/c1-3-25(4-2)29(27,28)15-9-10-16-23-24-17(26(16)12-15)22-11-13-5-7-14(8-6-13)18(19,20)21/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyQPFLOSKUBFDXCZ-UHFFFAOYSA-N
XLogP3.39
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3-[(2-hydroxy-2-methylpropyl)amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 121260907
3-[benzyl(methyl)amino]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 121260872
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
N,N-diethyl-1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazole-5-sulfonamide
CID 46097942
2-[[6-(diethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 24572680
3-[ethyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 61007490
3-[(1R)-1-cyanoethyl]sulfanyl-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 40810966
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 511956
3-[1-(2,4-difluorophenyl)ethylsulfanyl]-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 55989065
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide
CID 24996616

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The IUPAC name of N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (CID 121260916) is N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The canonical SMILES for N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2nnc(NCc3ccc(C(F)(F)F)cc3)n2c1.
What is the InChIKey of N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The InChIKey is QPFLOSKUBFDXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2S/c1-3-25(4-2)29(27,28)15-9-10-16-23-24-17(26(16)12-15)22-11-13-5-7-14(8-6-13)18(19,20)21/h5-10,12H,3-4,11H2,1-2H3,(H,22,24).
What are the key properties of N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide has a molecular weight of 427.45 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is sourced from PubChem (CID 121260916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).