N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide

C15H10F3N5O4S — CID 155708481

About N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide

N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide (PubChem CID 155708481) has the molecular formula C15H10F3N5O4S and a molecular weight of 413.34 g/mol. Its IUPAC name is N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide
• PubChem CID: 155708481
• Molecular Formula: C15H10F3N5O4S
• Molecular Weight: 413.34 g/mol
• Exact Mass: 413.04
• IUPAC Name: N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide
• SMILES: O=C(CNS(=O)(=O)c1cnccn1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
• InChI: InChI=1S/C15H10F3N5O4S/c16-15(17,18)14-22-13(23-27-14)10-3-1-9(2-4-10)11(24)7-21-28(25,26)12-8-19-5-6-20-12/h1-6,8,21H,7H2
• InChIKey: RUBGFQPPBRSTSX-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 127.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.34
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide?

The IUPAC name of N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide (CID 155708481) is N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide.

What is the SMILES notation for N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide?

The canonical SMILES for N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide is O=C(CNS(=O)(=O)c1cnccn1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.

What is the InChIKey of N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide?

The InChIKey is RUBGFQPPBRSTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O4S/c16-15(17,18)14-22-13(23-27-14)10-3-1-9(2-4-10)11(24)7-21-28(25,26)12-8-19-5-6-20-12/h1-6,8,21H,7H2.

What are the key properties of N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide?

N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide has a molecular weight of 413.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazine-2-sulfonamide is sourced from PubChem (CID 155708481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).