3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide

C16H10F3N3O5S — CID 14998382

IUPAC3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H10F3N3O5S/c17-16(18,19)26-11-8-4-5-9-12(11)28(24,25)22-14(23)15-20-13(21-27-15)10-6-2-1-3-7-10/h1-9H,(H,22,23)
InChIKeyCXZMNNNUHQMIDB-UHFFFAOYSA-N
MW413.33 g/mol
LogP2.75
Rot. Bonds5

About 3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide

3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 14998382) has the molecular formula C16H10F3N3O5S and a molecular weight of 413.33 g/mol. Its IUPAC name is 3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID14998382
Molecular FormulaC16H10F3N3O5S
Molecular Weight413.33 g/mol
Exact Mass413.03
IUPAC Name3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H10F3N3O5S/c17-16(18,19)26-11-8-4-5-9-12(11)28(24,25)22-14(23)15-20-13(21-27-15)10-6-2-1-3-7-10/h1-9H,(H,22,23)
InChIKeyCXZMNNNUHQMIDB-UHFFFAOYSA-N
XLogP2.75
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide (CID 14998382) is 3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide is O=C(NS(=O)(=O)c1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is CXZMNNNUHQMIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O5S/c17-16(18,19)26-11-8-4-5-9-12(11)28(24,25)22-14(23)15-20-13(21-27-15)10-6-2-1-3-7-10/h1-9H,(H,22,23).
What are the key properties of 3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide?
3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 413.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 14998382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).