N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

C17H20N4O3S — CID 53158136

IUPACN-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1
InChIInChI=1S/C17H20N4O3S/c1-4-21(14-6-8-15(9-7-14)24-5-2)25(22,23)16-10-11-17-19-18-13(3)20(17)12-16/h6-12H,4-5H2,1-3H3
InChIKeyHTFFFDAJFHSYQT-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.65
Rot. Bonds6

About N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (PubChem CID 53158136) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
PubChem CID53158136
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1
InChIInChI=1S/C17H20N4O3S/c1-4-21(14-6-8-15(9-7-14)24-5-2)25(22,23)16-10-11-17-19-18-13(3)20(17)12-16/h6-12H,4-5H2,1-3H3
InChIKeyHTFFFDAJFHSYQT-UHFFFAOYSA-N
XLogP2.65
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158254
N-(4-chlorophenyl)-N-(cyanomethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158252
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
ethyl 2-[1,3-benzodioxol-5-yl-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfonyl]amino]acetate
CID 53158152
N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide
CID 4105425
3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 100511297
N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19576918
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 50893049
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 2271131
2-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-diethyl-3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 24587370
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 46268202

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (CID 53158136) is N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is CCOc1ccc(N(CC)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The InChIKey is HTFFFDAJFHSYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-4-21(14-6-8-15(9-7-14)24-5-2)25(22,23)16-10-11-17-19-18-13(3)20(17)12-16/h6-12H,4-5H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is sourced from PubChem (CID 53158136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).