ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate

C16H16N4O4S — CID 53158049

IUPACethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate
SMILESCCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2nncn2c1
InChIInChI=1S/C16H16N4O4S/c1-2-24-16(21)11-20(13-6-4-3-5-7-13)25(22,23)14-8-9-15-18-17-12-19(15)10-14/h3-10,12H,2,11H2,1H3
InChIKeyRYWMTPKIZKDEJN-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.49
Rot. Bonds6

About ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate

ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate (PubChem CID 53158049) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate
PubChem CID53158049
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Nameethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate
SMILESCCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2nncn2c1
InChIInChI=1S/C16H16N4O4S/c1-2-24-16(21)11-20(13-6-4-3-5-7-13)25(22,23)14-8-9-15-18-17-12-19(15)10-14/h3-10,12H,2,11H2,1H3
InChIKeyRYWMTPKIZKDEJN-UHFFFAOYSA-N
XLogP1.49
TPSA93.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate with MolForge

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Related Compounds

methyl 2-[3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate
CID 53158169
ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100524720
ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
ethyl 2-(N-sulfamoylanilino)acetate
CID 67139831
ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate
CID 3546283
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfonyl]amino]acetate
CID 53158166
ethyl 2-[1,3-benzodioxol-5-yl-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfonyl]amino]acetate
CID 53158152
ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531336
ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate
CID 9283060
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
ethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890829
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate?
The IUPAC name of ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate (CID 53158049) is ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate.
What is the SMILES notation for ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate?
The canonical SMILES for ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate is CCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2nncn2c1.
What is the InChIKey of ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate?
The InChIKey is RYWMTPKIZKDEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-2-24-16(21)11-20(13-6-4-3-5-7-13)25(22,23)14-8-9-15-18-17-12-19(15)10-14/h3-10,12H,2,11H2,1H3.
What are the key properties of ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate?
ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate has a molecular weight of 360.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[N-([1,2,4]triazolo[4,3-a]pyridin-6-ylsulfonyl)anilino]acetate is sourced from PubChem (CID 53158049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).