N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide

C15H11Cl3N4OS — CID 3931199

About N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide

N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide (PubChem CID 3931199) has the molecular formula C15H11Cl3N4OS and a molecular weight of 401.71 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
• PubChem CID: 3931199
• Molecular Formula: C15H11Cl3N4OS
• Molecular Weight: 401.71 g/mol
• Exact Mass: 399.97
• IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
• SMILES: O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NCc1ccccc1Cl
• InChI: InChI=1S/C15H11Cl3N4OS/c16-10-5-12(18)14-20-21-15(22(14)7-10)24-8-13(23)19-6-9-3-1-2-4-11(9)17/h1-5,7H,6,8H2,(H,19,23)
• InChIKey: QXGUXCQLKUPOGK-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.71
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide (CID 3931199) is N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide is O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NCc1ccccc1Cl.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide?

The InChIKey is QXGUXCQLKUPOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N4OS/c16-10-5-12(18)14-20-21-15(22(14)7-10)24-8-13(23)19-6-9-3-1-2-4-11(9)17/h1-5,7H,6,8H2,(H,19,23).

What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide?

N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide has a molecular weight of 401.71 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 3931199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).