2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline

C13H10F3NOS — CID 55217046

IUPAC2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
SMILESCOc1cc(Sc2ccc(F)cc2F)c(N)cc1F
InChIInChI=1S/C13H10F3NOS/c1-18-11-6-13(10(17)5-8(11)15)19-12-3-2-7(14)4-9(12)16/h2-6H,17H2,1H3
InChIKeySZCHSBNGRZRVTC-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.85
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline

2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline (PubChem CID 55217046) has the molecular formula C13H10F3NOS and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
PubChem CID55217046
Molecular FormulaC13H10F3NOS
Molecular Weight285.29 g/mol
Exact Mass285.04
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
SMILESCOc1cc(Sc2ccc(F)cc2F)c(N)cc1F
InChIInChI=1S/C13H10F3NOS/c1-18-11-6-13(10(17)5-8(11)15)19-12-3-2-7(14)4-9(12)16/h2-6H,17H2,1H3
InChIKeySZCHSBNGRZRVTC-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline
CID 63597738
2-(2-bromophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63600017
2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63600005
methyl 3-amino-4-(2,4-difluorophenyl)sulfanylbenzoate
CID 61307929
5-chloro-2-(2,4-difluorophenyl)sulfanylaniline
CID 43345451
2-(3-bromophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63598097
5-bromo-2-(2,4-difluorophenyl)sulfanylaniline
CID 43345448
4-bromo-2-(2,4-difluorophenyl)sulfanylaniline
CID 65342766
N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide
CID 63600011
2-(2,4-difluorophenyl)sulfanyl-5-methylsulfonylaniline
CID 43448248
2,5-difluoro-4-methoxyaniline
CID 45090681
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 63600024

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline (CID 55217046) is 2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline is COc1cc(Sc2ccc(F)cc2F)c(N)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline?
The InChIKey is SZCHSBNGRZRVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NOS/c1-18-11-6-13(10(17)5-8(11)15)19-12-3-2-7(14)4-9(12)16/h2-6H,17H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline?
2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline has a molecular weight of 285.29 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline is sourced from PubChem (CID 55217046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).