3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one

C21H14F3N3O4S2 — CID 135928045

IUPAC3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(S(=O)(=O)N3CCc4cc(-c5ccc(C(F)(F)F)cc5)ccc43)s2)no1
InChIInChI=1S/C21H14F3N3O4S2/c22-21(23,24)15-4-1-12(2-5-15)13-3-6-16-14(11-13)9-10-27(16)33(29,30)18-8-7-17(32-18)19-25-20(28)31-26-19/h1-8,11H,9-10H2,(H,25,26,28)
InChIKeyRKSSXRQDEJMTQJ-UHFFFAOYSA-N
MW493.49 g/mol
LogP4.53
Rot. Bonds4

About 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one

3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 135928045) has the molecular formula C21H14F3N3O4S2 and a molecular weight of 493.49 g/mol. Its IUPAC name is 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID135928045
Molecular FormulaC21H14F3N3O4S2
Molecular Weight493.49 g/mol
Exact Mass493.04
IUPAC Name3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccc(S(=O)(=O)N3CCc4cc(-c5ccc(C(F)(F)F)cc5)ccc43)s2)no1
InChIInChI=1S/C21H14F3N3O4S2/c22-21(23,24)15-4-1-12(2-5-15)13-3-6-16-14(11-13)9-10-27(16)33(29,30)18-8-7-17(32-18)19-25-20(28)31-26-19/h1-8,11H,9-10H2,(H,25,26,28)
InChIKeyRKSSXRQDEJMTQJ-UHFFFAOYSA-N
XLogP4.53
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one (CID 135928045) is 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(-c2ccc(S(=O)(=O)N3CCc4cc(-c5ccc(C(F)(F)F)cc5)ccc43)s2)no1.
What is the InChIKey of 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is RKSSXRQDEJMTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O4S2/c22-21(23,24)15-4-1-12(2-5-15)13-3-6-16-14(11-13)9-10-27(16)33(29,30)18-8-7-17(32-18)19-25-20(28)31-26-19/h1-8,11H,9-10H2,(H,25,26,28).
What are the key properties of 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one?
3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 493.49 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135928045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).