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

C13H12N4O2S — CID 53158095

IUPACN-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C13H12N4O2S/c1-10-2-4-11(5-3-10)16-20(18,19)12-6-7-13-15-14-9-17(13)8-12/h2-9,16H,1H3
InChIKeyIXNYEFBBCZISHL-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.84
Rot. Bonds3

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

N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (PubChem CID 53158095) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
PubChem CID53158095
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C13H12N4O2S/c1-10-2-4-11(5-3-10)16-20(18,19)12-6-7-13-15-14-9-17(13)8-12/h2-9,16H,1H3
InChIKeyIXNYEFBBCZISHL-UHFFFAOYSA-N
XLogP1.84
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873498
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 36591359
2,4-dimethyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524117
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
4-propyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 121037173
N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169371262
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
N-(2-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110734864
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370933

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The IUPAC name of N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (CID 53158095) is N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The canonical SMILES for N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3nncn3c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The InChIKey is IXNYEFBBCZISHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-10-2-4-11(5-3-10)16-20(18,19)12-6-7-13-15-14-9-17(13)8-12/h2-9,16H,1H3.
What are the key properties of N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is sourced from PubChem (CID 53158095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).