N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

C14H11Cl2NO2S — CID 65467625

IUPACN-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESO=S1(=O)CC(Nc2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C14H11Cl2NO2S/c15-10-5-3-6-11(16)14(10)17-12-8-20(18,19)13-7-2-1-4-9(12)13/h1-7,12,17H,8H2
InChIKeyJHFHXAPOPRFJRW-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.93
Rot. Bonds2

About N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 65467625) has the molecular formula C14H11Cl2NO2S and a molecular weight of 328.22 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID65467625
Molecular FormulaC14H11Cl2NO2S
Molecular Weight328.22 g/mol
Exact Mass326.99
IUPAC NameN-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESO=S1(=O)CC(Nc2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C14H11Cl2NO2S/c15-10-5-3-6-11(16)14(10)17-12-8-20(18,19)13-7-2-1-4-9(12)13/h1-7,12,17H,8H2
InChIKeyJHFHXAPOPRFJRW-UHFFFAOYSA-N
XLogP3.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 65467625) is N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is O=S1(=O)CC(Nc2c(Cl)cccc2Cl)c2ccccc21.
What is the InChIKey of N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is JHFHXAPOPRFJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2S/c15-10-5-3-6-11(16)14(10)17-12-8-20(18,19)13-7-2-1-4-9(12)13/h1-7,12,17H,8H2.
What are the key properties of N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 328.22 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 65467625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).