1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine

C15H10F3NO2S — CID 134147925

IUPAC1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine
SMILESO=S1(=O)C=Cc2cccc(Nc3cccc(C(F)(F)F)c3)c21
InChIInChI=1S/C15H10F3NO2S/c16-15(17,18)11-4-2-5-12(9-11)19-13-6-1-3-10-7-8-22(20,21)14(10)13/h1-9,19H
InChIKeyRIJVPRMZSAPJMM-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.21
Rot. Bonds2

About 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine

1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine (PubChem CID 134147925) has the molecular formula C15H10F3NO2S and a molecular weight of 325.31 g/mol. Its IUPAC name is 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine
PubChem CID134147925
Molecular FormulaC15H10F3NO2S
Molecular Weight325.31 g/mol
Exact Mass325.04
IUPAC Name1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine
SMILESO=S1(=O)C=Cc2cccc(Nc3cccc(C(F)(F)F)c3)c21
InChIInChI=1S/C15H10F3NO2S/c16-15(17,18)11-4-2-5-12(9-11)19-13-6-1-3-10-7-8-22(20,21)14(10)13/h1-9,19H
InChIKeyRIJVPRMZSAPJMM-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine?
The IUPAC name of 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine (CID 134147925) is 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine.
What is the SMILES notation for 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine?
The canonical SMILES for 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine is O=S1(=O)C=Cc2cccc(Nc3cccc(C(F)(F)F)c3)c21.
What is the InChIKey of 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine?
The InChIKey is RIJVPRMZSAPJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2S/c16-15(17,18)11-4-2-5-12(9-11)19-13-6-1-3-10-7-8-22(20,21)14(10)13/h1-9,19H.
What are the key properties of 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine?
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine has a molecular weight of 325.31 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-7-amine is sourced from PubChem (CID 134147925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).