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

C13H11Cl2N5O4S — CID 15477152

IUPAC2,5-dichloro-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cnc(OC)n2nc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc12
InChIInChI=1S/C13H11Cl2N5O4S/c1-23-9-6-16-13(24-2)20-11(9)17-12(18-20)19-25(21,22)10-5-7(14)3-4-8(10)15/h3-6H,1-2H3,(H,18,19)
InChIKeyHHGYGSZRHUBDTM-UHFFFAOYSA-N
MW404.24 g/mol
LogP2.25
Rot. Bonds5

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

2,5-dichloro-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide (PubChem CID 15477152) has the molecular formula C13H11Cl2N5O4S and a molecular weight of 404.24 g/mol. Its IUPAC name is 2,5-dichloro-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide
PubChem CID15477152
Molecular FormulaC13H11Cl2N5O4S
Molecular Weight404.24 g/mol
Exact Mass402.99
IUPAC Name2,5-dichloro-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cnc(OC)n2nc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc12
InChIInChI=1S/C13H11Cl2N5O4S/c1-23-9-6-16-13(24-2)20-11(9)17-12(18-20)19-25(21,22)10-5-7(14)3-4-8(10)15/h3-6H,1-2H3,(H,18,19)
InChIKeyHHGYGSZRHUBDTM-UHFFFAOYSA-N
XLogP2.25
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,5-dichloro-N-(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-dichloro-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide (CID 15477152) is 2,5-dichloro-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide is COc1cnc(OC)n2nc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc12.
What is the InChIKey of 2,5-dichloro-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide?
The InChIKey is HHGYGSZRHUBDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N5O4S/c1-23-9-6-16-13(24-2)20-11(9)17-12(18-20)19-25(21,22)10-5-7(14)3-4-8(10)15/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2,5-dichloro-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide?
2,5-dichloro-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide has a molecular weight of 404.24 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 15477152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).