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

C20H14F3N3O3S2 — CID 90464320

IUPAC3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-2H-1,2,4-oxadiazete
SMILESO=S(=O)(c1ccc(-c2no[nH]2)s1)N1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C20H14F3N3O3S2/c21-20(22,23)15-4-1-12(2-5-15)13-3-6-16-14(11-13)9-10-26(16)31(27,28)18-8-7-17(30-18)19-24-29-25-19/h1-8,11H,9-10H2,(H,24,25)
InChIKeyWITDQICGTISNAP-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.17
Rot. Bonds4

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

3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-2H-1,2,4-oxadiazete (PubChem CID 90464320) has the molecular formula C20H14F3N3O3S2 and a molecular weight of 465.48 g/mol. Its IUPAC name is 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-2H-1,2,4-oxadiazete.

Molecular Properties

Compound Name3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-2H-1,2,4-oxadiazete
PubChem CID90464320
Molecular FormulaC20H14F3N3O3S2
Molecular Weight465.48 g/mol
Exact Mass465.04
IUPAC Name3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-2H-1,2,4-oxadiazete
SMILESO=S(=O)(c1ccc(-c2no[nH]2)s1)N1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C20H14F3N3O3S2/c21-20(22,23)15-4-1-12(2-5-15)13-3-6-16-14(11-13)9-10-26(16)31(27,28)18-8-7-17(30-18)19-24-29-25-19/h1-8,11H,9-10H2,(H,24,25)
InChIKeyWITDQICGTISNAP-UHFFFAOYSA-N
XLogP5.17
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-2H-1,2,4-oxadiazete 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]-2H-1,2,4-oxadiazete?
The IUPAC name of 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-2H-1,2,4-oxadiazete (CID 90464320) is 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-2H-1,2,4-oxadiazete.
What is the SMILES notation for 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-2H-1,2,4-oxadiazete?
The canonical SMILES for 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-2H-1,2,4-oxadiazete is O=S(=O)(c1ccc(-c2no[nH]2)s1)N1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-2H-1,2,4-oxadiazete?
The InChIKey is WITDQICGTISNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3S2/c21-20(22,23)15-4-1-12(2-5-15)13-3-6-16-14(11-13)9-10-26(16)31(27,28)18-8-7-17(30-18)19-24-29-25-19/h1-8,11H,9-10H2,(H,24,25).
What are the key properties of 3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-2H-1,2,4-oxadiazete?
3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-2H-1,2,4-oxadiazete has a molecular weight of 465.48 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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]-2H-1,2,4-oxadiazete is sourced from PubChem (CID 90464320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).