N-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine

C14H10ClNO2S — CID 134139708

IUPACN-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine
SMILESO=S1(=O)C=Cc2cccc(Nc3ccc(Cl)cc3)c21
InChIInChI=1S/C14H10ClNO2S/c15-11-4-6-12(7-5-11)16-13-3-1-2-10-8-9-19(17,18)14(10)13/h1-9,16H
InChIKeyFFHGILNMDVMIQG-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.84
Rot. Bonds2

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

N-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine (PubChem CID 134139708) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine
PubChem CID134139708
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC NameN-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine
SMILESO=S1(=O)C=Cc2cccc(Nc3ccc(Cl)cc3)c21
InChIInChI=1S/C14H10ClNO2S/c15-11-4-6-12(7-5-11)16-13-3-1-2-10-8-9-19(17,18)14(10)13/h1-9,16H
InChIKeyFFHGILNMDVMIQG-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The IUPAC name of N-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine (CID 134139708) is N-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The canonical SMILES for N-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine is O=S1(=O)C=Cc2cccc(Nc3ccc(Cl)cc3)c21.
What is the InChIKey of N-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The InChIKey is FFHGILNMDVMIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c15-11-4-6-12(7-5-11)16-13-3-1-2-10-8-9-19(17,18)14(10)13/h1-9,16H.
What are the key properties of N-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine?
N-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine has a molecular weight of 291.76 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1,1-dioxo-1-benzothiophen-7-amine is sourced from PubChem (CID 134139708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).