5-chloro-2-(2,4-difluorophenyl)sulfanylaniline

C12H8ClF2NS — CID 43345451

IUPAC5-chloro-2-(2,4-difluorophenyl)sulfanylaniline
SMILESNc1cc(Cl)ccc1Sc1ccc(F)cc1F
InChIInChI=1S/C12H8ClF2NS/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(14)6-9(11)15/h1-6H,16H2
InChIKeyRPZARTAPRFLUJM-UHFFFAOYSA-N
MW271.72 g/mol
LogP4.35
Rot. Bonds2

About 5-chloro-2-(2,4-difluorophenyl)sulfanylaniline

5-chloro-2-(2,4-difluorophenyl)sulfanylaniline (PubChem CID 43345451) has the molecular formula C12H8ClF2NS and a molecular weight of 271.72 g/mol. Its IUPAC name is 5-chloro-2-(2,4-difluorophenyl)sulfanylaniline.

Molecular Properties

Compound Name5-chloro-2-(2,4-difluorophenyl)sulfanylaniline
PubChem CID43345451
Molecular FormulaC12H8ClF2NS
Molecular Weight271.72 g/mol
Exact Mass271.00
IUPAC Name5-chloro-2-(2,4-difluorophenyl)sulfanylaniline
SMILESNc1cc(Cl)ccc1Sc1ccc(F)cc1F
InChIInChI=1S/C12H8ClF2NS/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(14)6-9(11)15/h1-6H,16H2
InChIKeyRPZARTAPRFLUJM-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(2,4-difluorophenyl)sulfanylaniline
CID 43345448
5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
CID 29298573
3-amino-4-(2,4-difluorophenyl)sulfanyl-N-methylbenzenesulfonamide
CID 43449360
2-(2,4-difluorophenyl)sulfanyl-5-methylsulfonylaniline
CID 43448248
4-chloro-2-(2,4-difluorophenyl)sulfanylbenzonitrile
CID 63538295
2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 55217046
4-bromo-2-(2,4-difluorophenyl)sulfanylaniline
CID 65342766
methyl 3-amino-4-(2,4-difluorophenyl)sulfanylbenzoate
CID 61307929
5-chloro-2-(3-chlorophenyl)sulfanylaniline
CID 3026812
(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 55184274
5-chloro-2-(4-ethylphenyl)sulfanylaniline
CID 91877108
2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine
CID 60726032

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4-difluorophenyl)sulfanylaniline?
The IUPAC name of 5-chloro-2-(2,4-difluorophenyl)sulfanylaniline (CID 43345451) is 5-chloro-2-(2,4-difluorophenyl)sulfanylaniline.
What is the SMILES notation for 5-chloro-2-(2,4-difluorophenyl)sulfanylaniline?
The canonical SMILES for 5-chloro-2-(2,4-difluorophenyl)sulfanylaniline is Nc1cc(Cl)ccc1Sc1ccc(F)cc1F.
What is the InChIKey of 5-chloro-2-(2,4-difluorophenyl)sulfanylaniline?
The InChIKey is RPZARTAPRFLUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NS/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(14)6-9(11)15/h1-6H,16H2.
What are the key properties of 5-chloro-2-(2,4-difluorophenyl)sulfanylaniline?
5-chloro-2-(2,4-difluorophenyl)sulfanylaniline has a molecular weight of 271.72 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-difluorophenyl)sulfanylaniline is sourced from PubChem (CID 43345451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).