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

C15H13NO2S — CID 134135315

IUPACN-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine
SMILESCc1ccc(Nc2cccc3c2S(=O)(=O)C=C3)cc1
InChIInChI=1S/C15H13NO2S/c1-11-5-7-13(8-6-11)16-14-4-2-3-12-9-10-19(17,18)15(12)14/h2-10,16H,1H3
InChIKeySZRPTGYBNLDYAL-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.50
Rot. Bonds2

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

N-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine (PubChem CID 134135315) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine
PubChem CID134135315
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC NameN-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine
SMILESCc1ccc(Nc2cccc3c2S(=O)(=O)C=C3)cc1
InChIInChI=1S/C15H13NO2S/c1-11-5-7-13(8-6-11)16-14-4-2-3-12-9-10-19(17,18)15(12)14/h2-10,16H,1H3
InChIKeySZRPTGYBNLDYAL-UHFFFAOYSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-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-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The IUPAC name of N-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine (CID 134135315) is N-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine.
What is the SMILES notation for N-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The canonical SMILES for N-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine is Cc1ccc(Nc2cccc3c2S(=O)(=O)C=C3)cc1.
What is the InChIKey of N-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The InChIKey is SZRPTGYBNLDYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-11-5-7-13(8-6-11)16-14-4-2-3-12-9-10-19(17,18)15(12)14/h2-10,16H,1H3.
What are the key properties of N-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
N-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine has a molecular weight of 271.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1,1-dioxo-1-benzothiophen-7-amine is sourced from PubChem (CID 134135315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).