4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide

C15H16N4O3S — CID 91947514

IUPAC4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nnc3ccccn23)cc1
InChIInChI=1S/C15H16N4O3S/c1-22-12-5-7-13(8-6-12)23(20,21)16-10-9-15-18-17-14-4-2-3-11-19(14)15/h2-8,11,16H,9-10H2,1H3
InChIKeyLBJOUXSSVXWYSL-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.26
Rot. Bonds6

About 4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide

4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide (PubChem CID 91947514) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide
PubChem CID91947514
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nnc3ccccn23)cc1
InChIInChI=1S/C15H16N4O3S/c1-22-12-5-7-13(8-6-12)23(20,21)16-10-9-15-18-17-14-4-2-3-11-19(14)15/h2-8,11,16H,9-10H2,1H3
InChIKeyLBJOUXSSVXWYSL-UHFFFAOYSA-N
XLogP1.26
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-{[3-(2-{[(4-methoxyphenyl)sulfonyl]amino}ethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate
CID 16019530
4-methoxy-N-[3-[(4-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-2-yl)amino]propyl]benzenesulfonamide
CID 156016377
[8-(4-Methanesulfonyl-piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-methoxy-phenyl)-amine
CID 49838520
2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
CID 67481490
4-methoxy-N-(2-{6-[(pyridin-3-ylmethyl)thio][1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzenesulfonamide
CID 16194565
4-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide
CID 7150781
6-[4-(4-Methoxyphenyl)sulfonylpiperazino]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 9551554
N-(2-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)ethyl)-4-methoxybenzenesulfonamide
CID 17585007
4-methoxy-N-[3-[[[1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]phenyl]benzenesulfonamide
CID 76311164
N-[4-[(5-cyano-1-phenylpyrazolo[3,4-b]pyridin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide
CID 127043521
4-methoxy-N-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 141756469
3-Fluoro-N-({imidazo[1,2-A]pyridin-2-YL}methyl)-4-methoxybenzene-1-sulfonamide
CID 6623900

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide (CID 91947514) is 4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2nnc3ccccn23)cc1.
What is the InChIKey of 4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is LBJOUXSSVXWYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-22-12-5-7-13(8-6-12)23(20,21)16-10-9-15-18-17-14-4-2-3-11-19(14)15/h2-8,11,16H,9-10H2,1H3.
What are the key properties of 4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide?
4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 91947514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).