N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline

C13H12ClF2NS2 — CID 43438953

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
SMILESCC(Nc1ccccc1SC(F)F)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClF2NS2/c1-8(10-6-7-12(14)18-10)17-9-4-2-3-5-11(9)19-13(15)16/h2-8,13,17H,1H3
InChIKeyHGSIQAHFGZHCTH-UHFFFAOYSA-N
MW319.83 g/mol
LogP5.89
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline (PubChem CID 43438953) has the molecular formula C13H12ClF2NS2 and a molecular weight of 319.83 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
PubChem CID43438953
Molecular FormulaC13H12ClF2NS2
Molecular Weight319.83 g/mol
Exact Mass319.01
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
SMILESCC(Nc1ccccc1SC(F)F)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClF2NS2/c1-8(10-6-7-12(14)18-10)17-9-4-2-3-5-11(9)19-13(15)16/h2-8,13,17H,1H3
InChIKeyHGSIQAHFGZHCTH-UHFFFAOYSA-N
XLogP5.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.83
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 43683406
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline
CID 43381990
2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43439175
N-[1-(2,4-dichlorophenyl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 43102689
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43439198
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 104716465
N-[1-(5-bromofuran-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 104652024
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline
CID 43439176
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
CID 61472818
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
CID 43438935

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline (CID 43438953) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline is CC(Nc1ccccc1SC(F)F)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline?
The InChIKey is HGSIQAHFGZHCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2NS2/c1-8(10-6-7-12(14)18-10)17-9-4-2-3-5-11(9)19-13(15)16/h2-8,13,17H,1H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline has a molecular weight of 319.83 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline is sourced from PubChem (CID 43438953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).