2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline

C12H8Cl2FNS — CID 54920833

IUPAC2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline
SMILESNc1c(F)cccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2FNS/c13-7-4-5-8(14)11(6-7)17-10-3-1-2-9(15)12(10)16/h1-6H,16H2
InChIKeySBVZYEDIPLXWDO-UHFFFAOYSA-N
MW288.17 g/mol
LogP4.87
Rot. Bonds2

About 2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline

2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline (PubChem CID 54920833) has the molecular formula C12H8Cl2FNS and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline
PubChem CID54920833
Molecular FormulaC12H8Cl2FNS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline
SMILESNc1c(F)cccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2FNS/c13-7-4-5-8(14)11(6-7)17-10-3-1-2-9(15)12(10)16/h1-6H,16H2
InChIKeySBVZYEDIPLXWDO-UHFFFAOYSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline (CID 54920833) is 2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline is Nc1c(F)cccc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline?
The InChIKey is SBVZYEDIPLXWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNS/c13-7-4-5-8(14)11(6-7)17-10-3-1-2-9(15)12(10)16/h1-6H,16H2.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline?
2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline has a molecular weight of 288.17 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline is sourced from PubChem (CID 54920833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).