N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide

C15H12F3N3O5S — CID 166213354

IUPACN,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)co1
InChIInChI=1S/C15H12F3N3O5S/c1-21(2)27(22,23)12-7-9(8-24-12)14-19-13(20-26-14)10-5-3-4-6-11(10)25-15(16,17)18/h3-8H,1-2H3
InChIKeyRFHMJFAHKIUVGT-UHFFFAOYSA-N
MW403.34 g/mol
LogP3.15
Rot. Bonds5

About N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide

N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide (PubChem CID 166213354) has the molecular formula C15H12F3N3O5S and a molecular weight of 403.34 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide
PubChem CID166213354
Molecular FormulaC15H12F3N3O5S
Molecular Weight403.34 g/mol
Exact Mass403.04
IUPAC NameN,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)co1
InChIInChI=1S/C15H12F3N3O5S/c1-21(2)27(22,23)12-7-9(8-24-12)14-19-13(20-26-14)10-5-3-4-6-11(10)25-15(16,17)18/h3-8H,1-2H3
InChIKeyRFHMJFAHKIUVGT-UHFFFAOYSA-N
XLogP3.15
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide (CID 166213354) is N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide is CN(C)S(=O)(=O)c1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)co1.
What is the InChIKey of N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide?
The InChIKey is RFHMJFAHKIUVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O5S/c1-21(2)27(22,23)12-7-9(8-24-12)14-19-13(20-26-14)10-5-3-4-6-11(10)25-15(16,17)18/h3-8H,1-2H3.
What are the key properties of N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide?
N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide has a molecular weight of 403.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide is sourced from PubChem (CID 166213354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).