N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline

C14H13ClFNS — CID 63517607

IUPACN-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline
SMILESFc1ccc(NCCSc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClFNS/c15-11-2-1-3-14(10-11)18-9-8-17-13-6-4-12(16)5-7-13/h1-7,10,17H,8-9H2
InChIKeyKDTMQUNCKNCLBQ-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.68
Rot. Bonds5

About N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline

N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline (PubChem CID 63517607) has the molecular formula C14H13ClFNS and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline
PubChem CID63517607
Molecular FormulaC14H13ClFNS
Molecular Weight281.78 g/mol
Exact Mass281.04
IUPAC NameN-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline
SMILESFc1ccc(NCCSc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClFNS/c15-11-2-1-3-14(10-11)18-9-8-17-13-6-4-12(16)5-7-13/h1-7,10,17H,8-9H2
InChIKeyKDTMQUNCKNCLBQ-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline 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

3-bromo-N-[2-(3-chlorophenyl)sulfanylethyl]aniline
CID 63517274
4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline
CID 55024188
N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 54806317
N-[2-(3-bromophenyl)sulfanylethyl]-3-chloroaniline
CID 63516478
N-[2-(3-chlorophenyl)sulfanylethyl]-2-methylpropan-2-amine
CID 62647206
N-[2-(3-chlorophenyl)sulfanylethyl]formamide
CID 91574653
4-chloro-N-(2-naphthalen-2-ylsulfanylethyl)aniline
CID 63515810
4-chloro-N-[2-(2,5-difluorophenyl)sulfanylethyl]aniline
CID 63517770
2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol
CID 66148345
[2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]hydrazine
CID 105237907
N-[2-(3-chlorophenyl)sulfanylethyl]oxan-4-amine
CID 63098142
N-[2-(3-chlorophenyl)sulfanylethyl]-N',N'-dimethylethane-1,2-diamine
CID 62647735

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline?
The IUPAC name of N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline (CID 63517607) is N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline.
What is the SMILES notation for N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline?
The canonical SMILES for N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline is Fc1ccc(NCCSc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline?
The InChIKey is KDTMQUNCKNCLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNS/c15-11-2-1-3-14(10-11)18-9-8-17-13-6-4-12(16)5-7-13/h1-7,10,17H,8-9H2.
What are the key properties of N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline?
N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline has a molecular weight of 281.78 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline is sourced from PubChem (CID 63517607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).