N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine

C14H9F2NO2S — CID 134157216

IUPACN-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine
SMILESO=S1(=O)C=Cc2cccc(Nc3ccc(F)c(F)c3)c21
InChIInChI=1S/C14H9F2NO2S/c15-11-5-4-10(8-12(11)16)17-13-3-1-2-9-6-7-20(18,19)14(9)13/h1-8,17H
InChIKeyOKRQYJAMWCZUBN-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.47
Rot. Bonds2

About N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine

N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine (PubChem CID 134157216) has the molecular formula C14H9F2NO2S and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine
PubChem CID134157216
Molecular FormulaC14H9F2NO2S
Molecular Weight293.29 g/mol
Exact Mass293.03
IUPAC NameN-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine
SMILESO=S1(=O)C=Cc2cccc(Nc3ccc(F)c(F)c3)c21
InChIInChI=1S/C14H9F2NO2S/c15-11-5-4-10(8-12(11)16)17-13-3-1-2-9-6-7-20(18,19)14(9)13/h1-8,17H
InChIKeyOKRQYJAMWCZUBN-UHFFFAOYSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The IUPAC name of N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine (CID 134157216) is N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine is O=S1(=O)C=Cc2cccc(Nc3ccc(F)c(F)c3)c21.
What is the InChIKey of N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The InChIKey is OKRQYJAMWCZUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO2S/c15-11-5-4-10(8-12(11)16)17-13-3-1-2-9-6-7-20(18,19)14(9)13/h1-8,17H.
What are the key properties of N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine?
N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine has a molecular weight of 293.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-7-amine is sourced from PubChem (CID 134157216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).