1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine

C15H10F3NO2S — CID 134135798

IUPAC1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine
SMILESO=S1(=O)C=Cc2ccc(Nc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C15H10F3NO2S/c16-15(17,18)11-2-1-3-12(8-11)19-13-5-4-10-6-7-22(20,21)14(10)9-13/h1-9,19H
InChIKeyYJEOOVUAEVVVDK-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.21
Rot. Bonds2

About 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine

1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine (PubChem CID 134135798) 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-6-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine
PubChem CID134135798
Molecular FormulaC15H10F3NO2S
Molecular Weight325.31 g/mol
Exact Mass325.04
IUPAC Name1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine
SMILESO=S1(=O)C=Cc2ccc(Nc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C15H10F3NO2S/c16-15(17,18)11-2-1-3-12(8-11)19-13-5-4-10-6-7-22(20,21)14(10)9-13/h1-9,19H
InChIKeyYJEOOVUAEVVVDK-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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Related Compounds

1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
[4-[3-(trifluoromethyl)anilino]phenyl]urea
CID 90643997
N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline
CID 142703833
2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile
CID 81278129
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
6-[3-(trifluoromethyl)anilino]-3H-1,3-benzothiazol-2-one
CID 86342396
N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54806053
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
6-ethenyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 89261435
5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 80722727
2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 135372433

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine?
The IUPAC name of 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine (CID 134135798) is 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine.
What is the SMILES notation for 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine?
The canonical SMILES for 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine is O=S1(=O)C=Cc2ccc(Nc3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine?
The InChIKey is YJEOOVUAEVVVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2S/c16-15(17,18)11-2-1-3-12(8-11)19-13-5-4-10-6-7-22(20,21)14(10)9-13/h1-9,19H.
What are the key properties of 1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-amine?
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-1-benzothiophen-6-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-6-amine is sourced from PubChem (CID 134135798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).