N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-amine

C14H9F2NO2S — CID 134150619

IUPACN-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-amine
SMILESO=S1(=O)C=Cc2ccc(Nc3ccc(F)c(F)c3)cc21
InChIInChI=1S/C14H9F2NO2S/c15-12-4-3-10(7-13(12)16)17-11-2-1-9-5-6-20(18,19)14(9)8-11/h1-8,17H
InChIKeySJIXCBVIENECTM-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.47
Rot. Bonds2

About N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-amine

N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-amine (PubChem CID 134150619) 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-6-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-amine
PubChem CID134150619
Molecular FormulaC14H9F2NO2S
Molecular Weight293.29 g/mol
Exact Mass293.03
IUPAC NameN-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-amine
SMILESO=S1(=O)C=Cc2ccc(Nc3ccc(F)c(F)c3)cc21
InChIInChI=1S/C14H9F2NO2S/c15-12-4-3-10(7-13(12)16)17-11-2-1-9-5-6-20(18,19)14(9)8-11/h1-8,17H
InChIKeySJIXCBVIENECTM-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

Analyze N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-amine 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 N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-amine?
The IUPAC name of N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-amine (CID 134150619) is N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-amine is O=S1(=O)C=Cc2ccc(Nc3ccc(F)c(F)c3)cc21.
What is the InChIKey of N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-amine?
The InChIKey is SJIXCBVIENECTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO2S/c15-12-4-3-10(7-13(12)16)17-11-2-1-9-5-6-20(18,19)14(9)8-11/h1-8,17H.
What are the key properties of N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-amine?
N-(3,4-difluorophenyl)-1,1-dioxo-1-benzothiophen-6-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-6-amine is sourced from PubChem (CID 134150619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).