8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

C12H8ClF2N5O3S — CID 15003730

About 8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (PubChem CID 15003730) has the molecular formula C12H8ClF2N5O3S and a molecular weight of 375.74 g/mol. Its IUPAC name is 8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

Molecular Properties

• Compound Name: 8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
• PubChem CID: 15003730
• Molecular Formula: C12H8ClF2N5O3S
• Molecular Weight: 375.74 g/mol
• Exact Mass: 375.00
• IUPAC Name: 8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
• SMILES: COc1ncc(Cl)c2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12
• InChI: InChI=1S/C12H8ClF2N5O3S/c1-23-12-16-5-6(13)10-17-11(18-20(10)12)24(21,22)19-9-7(14)3-2-4-8(9)15/h2-5,19H,1H3
• InChIKey: LBYADLCRAJSDQT-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 98.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.74
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?

The IUPAC name of 8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CID 15003730) is 8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

What is the SMILES notation for 8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?

The canonical SMILES for 8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is COc1ncc(Cl)c2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12.

What is the InChIKey of 8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?

The InChIKey is LBYADLCRAJSDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N5O3S/c1-23-12-16-5-6(13)10-17-11(18-20(10)12)24(21,22)19-9-7(14)3-2-4-8(9)15/h2-5,19H,1H3.

What are the key properties of 8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?

8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide has a molecular weight of 375.74 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is sourced from PubChem (CID 15003730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).