4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline

C11H8Cl3NOS — CID 107498892

IUPAC4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline
SMILESNc1cc(Cl)c(Cl)cc1OCc1ccc(Cl)s1
InChIInChI=1S/C11H8Cl3NOS/c12-7-3-9(15)10(4-8(7)13)16-5-6-1-2-11(14)17-6/h1-4H,5,15H2
InChIKeySEXVARILHFPUGB-UHFFFAOYSA-N
MW308.62 g/mol
LogP4.87
Rot. Bonds3

About 4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline

4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline (PubChem CID 107498892) has the molecular formula C11H8Cl3NOS and a molecular weight of 308.62 g/mol. Its IUPAC name is 4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline.

Molecular Properties

Compound Name4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline
PubChem CID107498892
Molecular FormulaC11H8Cl3NOS
Molecular Weight308.62 g/mol
Exact Mass306.94
IUPAC Name4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline
SMILESNc1cc(Cl)c(Cl)cc1OCc1ccc(Cl)s1
InChIInChI=1S/C11H8Cl3NOS/c12-7-3-9(15)10(4-8(7)13)16-5-6-1-2-11(14)17-6/h1-4H,5,15H2
InChIKeySEXVARILHFPUGB-UHFFFAOYSA-N
XLogP4.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.62
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline 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 4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline?
The IUPAC name of 4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline (CID 107498892) is 4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline.
What is the SMILES notation for 4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline?
The canonical SMILES for 4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline is Nc1cc(Cl)c(Cl)cc1OCc1ccc(Cl)s1.
What is the InChIKey of 4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline?
The InChIKey is SEXVARILHFPUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3NOS/c12-7-3-9(15)10(4-8(7)13)16-5-6-1-2-11(14)17-6/h1-4H,5,15H2.
What are the key properties of 4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline?
4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline has a molecular weight of 308.62 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline is sourced from PubChem (CID 107498892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).