(2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide

C12H7F3N5O3S- — CID 86315581

About (2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide

(2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide (PubChem CID 86315581) has the molecular formula C12H7F3N5O3S- and a molecular weight of 358.28 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide.

Molecular Properties

• Compound Name: (2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide
• PubChem CID: 86315581
• Molecular Formula: C12H7F3N5O3S-
• Molecular Weight: 358.28 g/mol
• Exact Mass: 358.02
• IUPAC Name: (2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide
• SMILES: COc1ncc(F)c2nc(S(=O)(=O)[N-]c3c(F)cccc3F)nn12
• InChI: InChI=1S/C12H7F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5H,1H3/q-1
• InChIKey: RQVCLWRCMPQUCB-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 100.55 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.28
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide?

The IUPAC name of (2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide (CID 86315581) is (2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide.

What is the SMILES notation for (2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide?

The canonical SMILES for (2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide is COc1ncc(F)c2nc(S(=O)(=O)[N-]c3c(F)cccc3F)nn12.

What is the InChIKey of (2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide?

The InChIKey is RQVCLWRCMPQUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5H,1H3/q-1.

What are the key properties of (2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide?

(2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide has a molecular weight of 358.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-difluorophenyl)-[(8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide is sourced from PubChem (CID 86315581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).