2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C20H17N3O4S — CID 47045329

IUPAC2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCOc2ccc(S(=O)(=O)c3ccccc3)cc2)nc2ccccn12
InChIInChI=1S/C20H17N3O4S/c24-20-22-13-5-4-8-19(22)21-23(20)14-15-27-16-9-11-18(12-10-16)28(25,26)17-6-2-1-3-7-17/h1-13H,14-15H2
InChIKeyWCFPRMSQOTYIOL-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.41
Rot. Bonds6

About 2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 47045329) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID47045329
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCOc2ccc(S(=O)(=O)c3ccccc3)cc2)nc2ccccn12
InChIInChI=1S/C20H17N3O4S/c24-20-22-13-5-4-8-19(22)21-23(20)14-15-27-16-9-11-18(12-10-16)28(25,26)17-6-2-1-3-7-17/h1-13H,14-15H2
InChIKeyWCFPRMSQOTYIOL-UHFFFAOYSA-N
XLogP2.41
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 47045329) is 2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCOc2ccc(S(=O)(=O)c3ccccc3)cc2)nc2ccccn12.
What is the InChIKey of 2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is WCFPRMSQOTYIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c24-20-22-13-5-4-8-19(22)21-23(20)14-15-27-16-9-11-18(12-10-16)28(25,26)17-6-2-1-3-7-17/h1-13H,14-15H2.
What are the key properties of 2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 395.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 47045329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).