2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline

C13H11ClFNOS — CID 63600005

IUPAC2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
SMILESCOc1cc(Sc2ccccc2Cl)c(N)cc1F
InChIInChI=1S/C13H11ClFNOS/c1-17-11-7-13(10(16)6-9(11)15)18-12-5-3-2-4-8(12)14/h2-7H,16H2,1H3
InChIKeyDEJBKHADZRQTRC-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.22
Rot. Bonds3

About 2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline

2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline (PubChem CID 63600005) has the molecular formula C13H11ClFNOS and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
PubChem CID63600005
Molecular FormulaC13H11ClFNOS
Molecular Weight283.76 g/mol
Exact Mass283.02
IUPAC Name2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
SMILESCOc1cc(Sc2ccccc2Cl)c(N)cc1F
InChIInChI=1S/C13H11ClFNOS/c1-17-11-7-13(10(16)6-9(11)15)18-12-5-3-2-4-8(12)14/h2-7H,16H2,1H3
InChIKeyDEJBKHADZRQTRC-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)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

2-(2-bromophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63600017
2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 55217046
5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline
CID 63597738
2-(3-bromophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63598097
2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline
CID 63594245
2-(2-bromophenyl)sulfanyl-4-ethoxy-5-fluoroaniline
CID 55217243
N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide
CID 63600011
2-(2-methoxy-5-methylphenyl)sulfanylaniline
CID 82118800
2,5-difluoro-4-methoxyaniline
CID 45090681
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 63600024
2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline
CID 63598602
2-[(2-chlorophenyl)methylsulfanyl]-4-(difluoromethoxy)-5-fluoroaniline
CID 103288221

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline (CID 63600005) is 2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline is COc1cc(Sc2ccccc2Cl)c(N)cc1F.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline?
The InChIKey is DEJBKHADZRQTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNOS/c1-17-11-7-13(10(16)6-9(11)15)18-12-5-3-2-4-8(12)14/h2-7H,16H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline?
2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline has a molecular weight of 283.76 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline is sourced from PubChem (CID 63600005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).