N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline

C15H13ClF3NS — CID 43676688

IUPACN-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline
SMILESCC(Nc1ccccc1SC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClF3NS/c1-10(11-6-8-12(16)9-7-11)20-13-4-2-3-5-14(13)21-15(17,18)19/h2-10,20H,1H3
InChIKeyHVBOEIJPGAJSSL-UHFFFAOYSA-N
MW331.79 g/mol
LogP6.12
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline

N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline (PubChem CID 43676688) has the molecular formula C15H13ClF3NS and a molecular weight of 331.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline
PubChem CID43676688
Molecular FormulaC15H13ClF3NS
Molecular Weight331.79 g/mol
Exact Mass331.04
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline
SMILESCC(Nc1ccccc1SC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClF3NS/c1-10(11-6-8-12(16)9-7-11)20-13-4-2-3-5-14(13)21-15(17,18)19/h2-10,20H,1H3
InChIKeyHVBOEIJPGAJSSL-UHFFFAOYSA-N
XLogP6.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.79
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline 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

N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline
CID 43225069
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 43381921
4-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683440
N-(4-methoxy-4-methylpentan-2-yl)-2-(trifluoromethylsulfanyl)aniline
CID 43676612
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43104527
N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)aniline
CID 43676714
N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
CID 43682265
N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine
CID 60716470
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43758444
5-chloro-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099949

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline (CID 43676688) is N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline is CC(Nc1ccccc1SC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline?
The InChIKey is HVBOEIJPGAJSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NS/c1-10(11-6-8-12(16)9-7-11)20-13-4-2-3-5-14(13)21-15(17,18)19/h2-10,20H,1H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline?
N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline has a molecular weight of 331.79 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-(trifluoromethylsulfanyl)aniline is sourced from PubChem (CID 43676688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).