N-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide

C14H15N5O2S — CID 91419391

IUPACN-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2cccn3nc(N)nc23)c1
InChIInChI=1S/C14H15N5O2S/c1-2-22(20,21)18-11-6-3-5-10(9-11)12-7-4-8-19-13(12)16-14(15)17-19/h3-9,18H,2H2,1H3,(H2,15,17)
InChIKeyCWWPERNKIWEPBF-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.74
Rot. Bonds4

About N-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide

N-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide (PubChem CID 91419391) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide
PubChem CID91419391
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC NameN-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2cccn3nc(N)nc23)c1
InChIInChI=1S/C14H15N5O2S/c1-2-22(20,21)18-11-6-3-5-10(9-11)12-7-4-8-19-13(12)16-14(15)17-19/h3-9,18H,2H2,1H3,(H2,15,17)
InChIKeyCWWPERNKIWEPBF-UHFFFAOYSA-N
XLogP1.74
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide
CID 172747956
4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide
CID 59198952
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide
CID 71543079
N-(2,3-diphenylquinoxalin-6-yl)ethanesulfonamide
CID 71295981
8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44554489
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide
CID 7524258
4-[4-[3-(ethylsulfonylamino)phenyl]-3-methyl-6-oxopyridazin-1-yl]benzoic acid
CID 71541962
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide
CID 110735632
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide
CID 7151320
6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid
CID 53229646
N-(2-amino-2-methylpropyl)-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59198980

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide (CID 91419391) is N-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-c2cccn3nc(N)nc23)c1.
What is the InChIKey of N-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide?
The InChIKey is CWWPERNKIWEPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-2-22(20,21)18-11-6-3-5-10(9-11)12-7-4-8-19-13(12)16-14(15)17-19/h3-9,18H,2H2,1H3,(H2,15,17).
What are the key properties of N-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide?
N-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 91419391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).