2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide

C13H13N5O4S — CID 70212099

IUPAC2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cnc(OC)n2nc(-c3ccccc3S(N)(=O)=O)nc12
InChIInChI=1S/C13H13N5O4S/c1-21-9-7-15-13(22-2)18-12(9)16-11(17-18)8-5-3-4-6-10(8)23(14,19)20/h3-7H,1-2H3,(H2,14,19,20)
InChIKeyFUIYYQCINOXCKQ-UHFFFAOYSA-N
MW335.35 g/mol
LogP0.46
Rot. Bonds4

About 2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide

2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide (PubChem CID 70212099) has the molecular formula C13H13N5O4S and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide
PubChem CID70212099
Molecular FormulaC13H13N5O4S
Molecular Weight335.35 g/mol
Exact Mass335.07
IUPAC Name2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cnc(OC)n2nc(-c3ccccc3S(N)(=O)=O)nc12
InChIInChI=1S/C13H13N5O4S/c1-21-9-7-15-13(22-2)18-12(9)16-11(17-18)8-5-3-4-6-10(8)23(14,19)20/h3-7H,1-2H3,(H2,14,19,20)
InChIKeyFUIYYQCINOXCKQ-UHFFFAOYSA-N
XLogP0.46
TPSA121.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide 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-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide (CID 70212099) is 2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide is COc1cnc(OC)n2nc(-c3ccccc3S(N)(=O)=O)nc12.
What is the InChIKey of 2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide?
The InChIKey is FUIYYQCINOXCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4S/c1-21-9-7-15-13(22-2)18-12(9)16-11(17-18)8-5-3-4-6-10(8)23(14,19)20/h3-7H,1-2H3,(H2,14,19,20).
What are the key properties of 2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide?
2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide has a molecular weight of 335.35 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 70212099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).