2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide

C19H16Cl2N4O3S2 — CID 22584338

About 2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide

2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide (PubChem CID 22584338) has the molecular formula C19H16Cl2N4O3S2 and a molecular weight of 483.40 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
• PubChem CID: 22584338
• Molecular Formula: C19H16Cl2N4O3S2
• Molecular Weight: 483.40 g/mol
• Exact Mass: 482.00
• IUPAC Name: 2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
• SMILES: COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(Cl)ccc4Cl)n3n2)cc1
• InChI: InChI=1S/C19H16Cl2N4O3S2/c1-28-15-5-2-12(3-6-15)18-23-19-25(24-18)14(11-29-19)8-9-22-30(26,27)17-10-13(20)4-7-16(17)21/h2-7,10-11,22H,8-9H2,1H3
• InChIKey: HZQACYKBEDVNRW-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.40
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide?

The IUPAC name of 2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide (CID 22584338) is 2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide.

What is the SMILES notation for 2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide?

The canonical SMILES for 2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide is COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(Cl)ccc4Cl)n3n2)cc1.

What is the InChIKey of 2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide?

The InChIKey is HZQACYKBEDVNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3S2/c1-28-15-5-2-12(3-6-15)18-23-19-25(24-18)14(11-29-19)8-9-22-30(26,27)17-10-13(20)4-7-16(17)21/h2-7,10-11,22H,8-9H2,1H3.

What are the key properties of 2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide?

2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide has a molecular weight of 483.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 22584338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).