N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine

C22H21N5O3S — CID 122195480

IUPACN-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3cccc(-c4cccnc4)c3)nn2)c1
InChIInChI=1S/C22H21N5O3S/c1-3-31(28,29)19-9-10-21(30-2)20(13-19)24-22-15-27(26-25-22)18-8-4-6-16(12-18)17-7-5-11-23-14-17/h4-15,24H,3H2,1-2H3
InChIKeyIMGLUBYKPCBYCS-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.88
Rot. Bonds7

About N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine

N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine (PubChem CID 122195480) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine
PubChem CID122195480
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3cccc(-c4cccnc4)c3)nn2)c1
InChIInChI=1S/C22H21N5O3S/c1-3-31(28,29)19-9-10-21(30-2)20(13-19)24-22-15-27(26-25-22)18-8-4-6-16(12-18)17-7-5-11-23-14-17/h4-15,24H,3H2,1-2H3
InChIKeyIMGLUBYKPCBYCS-UHFFFAOYSA-N
XLogP3.88
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(2-methoxy-phenyl)-amine
CID 57502380
4-[4-(5-Ethylsulfonyl-2-methoxyanilino)triazol-1-yl]-2-pyridin-2-ylphenol
CID 137028534
[4-[4-(5-Ethylsulfonyl-2-methoxyanilino)triazol-1-yl]-2-naphthalen-1-ylphenyl]urea
CID 122195476
1-(2,6-diphenylpyrimidin-4-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)triazol-4-amine
CID 122195478
4-[4-(5-Ethylsulfonyl-2-methoxyanilino)triazol-1-yl]-2-pyridin-3-ylphenol
CID 122195479
N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-2-ylphenyl)triazol-4-amine
CID 122195481
4-[4-(5-ethylsulfonyl-2-methoxyanilino)triazol-1-yl]-2-(1H-pyrrol-3-yl)phenol
CID 137028533
2-methoxy-N-[1-(2-methoxy-5-pyridin-4-ylphenyl)triazol-4-yl]benzenesulfonamide
CID 178301545
5-(2,3-dimethylindazol-6-yl)-2-N-(5-ethylsulfonyl-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 66735716
5-(2,3-dimethylindazol-6-yl)-4-N-(5-ethylsulfonyl-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 69903622
6-(4-aminophenyl)-N-(2-methoxy-4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 89620803
4-[2-(aminomethyl)-5-(3-methylsulfonylanilino)benzenecarboximidoyl]-N-(2-methoxyphenyl)pyridin-2-amine
CID 132193862

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine?
The IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine (CID 122195480) is N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine.
What is the SMILES notation for N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine?
The canonical SMILES for N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine is CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3cccc(-c4cccnc4)c3)nn2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine?
The InChIKey is IMGLUBYKPCBYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-3-31(28,29)19-9-10-21(30-2)20(13-19)24-22-15-27(26-25-22)18-8-4-6-16(12-18)17-7-5-11-23-14-17/h4-15,24H,3H2,1-2H3.
What are the key properties of N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine?
N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine has a molecular weight of 435.51 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-pyridin-3-ylphenyl)triazol-4-amine is sourced from PubChem (CID 122195480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).