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

C16H14F3N5O4S — CID 175693308

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

1-ethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-4-sulfonamide (PubChem CID 175693308) has the molecular formula C16H14F3N5O4S and a molecular weight of 429.38 g/mol. Its IUPAC name is 1-ethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: 1-ethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-4-sulfonamide
• PubChem CID: 175693308
• Molecular Formula: C16H14F3N5O4S
• Molecular Weight: 429.38 g/mol
• Exact Mass: 429.07
• IUPAC Name: 1-ethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-4-sulfonamide
• SMILES: CCn1cc(S(=O)(=O)NCC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cn1
• InChI: InChI=1S/C16H14F3N5O4S/c1-2-24-9-12(7-20-24)29(26,27)21-8-13(25)10-3-5-11(6-4-10)14-22-15(28-23-14)16(17,18)19/h3-7,9,21H,2,8H2,1H3
• InChIKey: PUAQROLKLHKMCF-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 119.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.38
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-4-sulfonamide (CID 175693308) is 1-ethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-4-sulfonamide.

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

The canonical SMILES for 1-ethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cn1.

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

The InChIKey is PUAQROLKLHKMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O4S/c1-2-24-9-12(7-20-24)29(26,27)21-8-13(25)10-3-5-11(6-4-10)14-22-15(28-23-14)16(17,18)19/h3-7,9,21H,2,8H2,1H3.

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

1-ethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-4-sulfonamide has a molecular weight of 429.38 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 175693308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).