3,5-dichloro-4-naphthalen-2-ylsulfanylaniline

C16H11Cl2NS — CID 22148834

IUPAC3,5-dichloro-4-naphthalen-2-ylsulfanylaniline
SMILESNc1cc(Cl)c(Sc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C16H11Cl2NS/c17-14-8-12(19)9-15(18)16(14)20-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,19H2
InChIKeyVJZJJIJZNTWGLA-UHFFFAOYSA-N
MW320.24 g/mol
LogP5.88
Rot. Bonds2

About 3,5-dichloro-4-naphthalen-2-ylsulfanylaniline

3,5-dichloro-4-naphthalen-2-ylsulfanylaniline (PubChem CID 22148834) has the molecular formula C16H11Cl2NS and a molecular weight of 320.24 g/mol. Its IUPAC name is 3,5-dichloro-4-naphthalen-2-ylsulfanylaniline.

Molecular Properties

Compound Name3,5-dichloro-4-naphthalen-2-ylsulfanylaniline
PubChem CID22148834
Molecular FormulaC16H11Cl2NS
Molecular Weight320.24 g/mol
Exact Mass319.00
IUPAC Name3,5-dichloro-4-naphthalen-2-ylsulfanylaniline
SMILESNc1cc(Cl)c(Sc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C16H11Cl2NS/c17-14-8-12(19)9-15(18)16(14)20-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,19H2
InChIKeyVJZJJIJZNTWGLA-UHFFFAOYSA-N
XLogP5.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.24
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-4-naphthalen-2-ylsulfanylaniline 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 3,5-dichloro-4-naphthalen-2-ylsulfanylaniline?
The IUPAC name of 3,5-dichloro-4-naphthalen-2-ylsulfanylaniline (CID 22148834) is 3,5-dichloro-4-naphthalen-2-ylsulfanylaniline.
What is the SMILES notation for 3,5-dichloro-4-naphthalen-2-ylsulfanylaniline?
The canonical SMILES for 3,5-dichloro-4-naphthalen-2-ylsulfanylaniline is Nc1cc(Cl)c(Sc2ccc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-naphthalen-2-ylsulfanylaniline?
The InChIKey is VJZJJIJZNTWGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NS/c17-14-8-12(19)9-15(18)16(14)20-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,19H2.
What are the key properties of 3,5-dichloro-4-naphthalen-2-ylsulfanylaniline?
3,5-dichloro-4-naphthalen-2-ylsulfanylaniline has a molecular weight of 320.24 g/mol, XLogP of 5.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-naphthalen-2-ylsulfanylaniline is sourced from PubChem (CID 22148834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).