4-[4-(trifluoromethoxy)phenyl]sulfanylaniline

C13H10F3NOS — CID 58007791

IUPAC4-[4-(trifluoromethoxy)phenyl]sulfanylaniline
SMILESNc1ccc(Sc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C13H10F3NOS/c14-13(15,16)18-10-3-7-12(8-4-10)19-11-5-1-9(17)2-6-11/h1-8H,17H2
InChIKeyMEPJOKJUFGHJHE-UHFFFAOYSA-N
MW285.29 g/mol
LogP4.32
Rot. Bonds3

About 4-[4-(trifluoromethoxy)phenyl]sulfanylaniline

4-[4-(trifluoromethoxy)phenyl]sulfanylaniline (PubChem CID 58007791) has the molecular formula C13H10F3NOS and a molecular weight of 285.29 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)phenyl]sulfanylaniline.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)phenyl]sulfanylaniline
PubChem CID58007791
Molecular FormulaC13H10F3NOS
Molecular Weight285.29 g/mol
Exact Mass285.04
IUPAC Name4-[4-(trifluoromethoxy)phenyl]sulfanylaniline
SMILESNc1ccc(Sc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C13H10F3NOS/c14-13(15,16)18-10-3-7-12(8-4-10)19-11-5-1-9(17)2-6-11/h1-8H,17H2
InChIKeyMEPJOKJUFGHJHE-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-(trifluoromethoxy)phenyl]sulfanylaniline 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

4-(4-Methoxyphenyl)sulfonylaniline
CID 516667
N-[(4-methoxyphenoxy)-methylphosphoryl]-4-(trifluoromethylsulfanyl)aniline
CID 3959454
N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide
CID 798896
2-Aminophenyl 4-methoxyphenyl sulfide
CID 361295
4-(4-Methoxy-phenylsulfanyl)-nitrobenzene
CID 12692632
3-Methoxy-4-((trifluoromethyl)sulfanyl)aniline
CID 57733616
4-[(4-Methoxyphenyl)sulfanyl]aniline
CID 12337978
2-(4-Methoxyphenyl)sulfanylaniline;hydrochloride
CID 361294
N-(2,4-difluorophenyl)-4-methoxybenzenesulfonamide
CID 741646
3-Chloro-4-[(4-methoxyphenyl)sulfanyl]aniline
CID 28401591
2-Methoxy-4-phenylsulfanylaniline
CID 63677391
4-Methoxy-2-(phenylthio)benzenamine
CID 80457171

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)phenyl]sulfanylaniline?
The IUPAC name of 4-[4-(trifluoromethoxy)phenyl]sulfanylaniline (CID 58007791) is 4-[4-(trifluoromethoxy)phenyl]sulfanylaniline.
What is the SMILES notation for 4-[4-(trifluoromethoxy)phenyl]sulfanylaniline?
The canonical SMILES for 4-[4-(trifluoromethoxy)phenyl]sulfanylaniline is Nc1ccc(Sc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[4-(trifluoromethoxy)phenyl]sulfanylaniline?
The InChIKey is MEPJOKJUFGHJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NOS/c14-13(15,16)18-10-3-7-12(8-4-10)19-11-5-1-9(17)2-6-11/h1-8H,17H2.
What are the key properties of 4-[4-(trifluoromethoxy)phenyl]sulfanylaniline?
4-[4-(trifluoromethoxy)phenyl]sulfanylaniline has a molecular weight of 285.29 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethoxy)phenyl]sulfanylaniline is sourced from PubChem (CID 58007791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).