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

C14H17N5O3S2 — CID 110400978

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

4-methoxy-3-methyl-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide (PubChem CID 110400978) has the molecular formula C14H17N5O3S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 4-methoxy-3-methyl-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-3-methyl-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
• PubChem CID: 110400978
• Molecular Formula: C14H17N5O3S2
• Molecular Weight: 367.46 g/mol
• Exact Mass: 367.08
• IUPAC Name: 4-methoxy-3-methyl-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)cc1C
• InChI: InChI=1S/C14H17N5O3S2/c1-9-8-11(4-5-12(9)22-3)24(20,21)15-7-6-13-18-19-10(2)16-17-14(19)23-13/h4-5,8,15H,6-7H2,1-3H3
• InChIKey: GVCAANARWSZTMG-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 98.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.46
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-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-3-methyl-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide (CID 110400978) is 4-methoxy-3-methyl-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-3-methyl-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-3-methyl-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)cc1C.

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

The InChIKey is GVCAANARWSZTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S2/c1-9-8-11(4-5-12(9)22-3)24(20,21)15-7-6-13-18-19-10(2)16-17-14(19)23-13/h4-5,8,15H,6-7H2,1-3H3.

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

4-methoxy-3-methyl-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide has a molecular weight of 367.46 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-3-methyl-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110400978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).