4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide

C13H15N5O3S2 — CID 110400967

About 4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide

4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide (PubChem CID 110400967) has the molecular formula C13H15N5O3S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
• PubChem CID: 110400967
• Molecular Formula: C13H15N5O3S2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.06
• IUPAC Name: 4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)NCCc2nn3c(C)nnc3s2)cc1
• InChI: InChI=1S/C13H15N5O3S2/c1-9-15-16-13-18(9)17-12(22-13)7-8-14-23(19,20)11-5-3-10(21-2)4-6-11/h3-6,14H,7-8H2,1-2H3
• InChIKey: MJTAUWIACMVYRY-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 98.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide?

The IUPAC name of 4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide (CID 110400967) is 4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide.

What is the SMILES notation for 4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide?

The canonical SMILES for 4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2nn3c(C)nnc3s2)cc1.

What is the InChIKey of 4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide?

The InChIKey is MJTAUWIACMVYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3S2/c1-9-15-16-13-18(9)17-12(22-13)7-8-14-23(19,20)11-5-3-10(21-2)4-6-11/h3-6,14H,7-8H2,1-2H3.

What are the key properties of 4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide?

4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide has a molecular weight of 353.43 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110400967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).