N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline

C14H13Cl2NS — CID 43229972

IUPACN-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NS/c1-18-14-5-3-2-4-13(14)17-9-10-6-7-11(15)8-12(10)16/h2-8,17H,9H2,1H3
InChIKeyRSAHLMZZQACQKE-UHFFFAOYSA-N
MW298.24 g/mol
LogP5.33
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline

N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline (PubChem CID 43229972) has the molecular formula C14H13Cl2NS and a molecular weight of 298.24 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline
PubChem CID43229972
Molecular FormulaC14H13Cl2NS
Molecular Weight298.24 g/mol
Exact Mass297.01
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NS/c1-18-14-5-3-2-4-13(14)17-9-10-6-7-11(15)8-12(10)16/h2-8,17H,9H2,1H3
InChIKeyRSAHLMZZQACQKE-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.24
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline 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-chloro-2-[(2-methylsulfanylanilino)methyl]phenol
CID 43683485
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
CID 4584887
N-[(4-chloro-2-fluorophenyl)methyl]-2-ethylsulfanylaniline
CID 114842098
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 100606765
N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
CID 106862168
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylsulfanylaniline
CID 103610599
N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline
CID 43229992
N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29291752
5-chloro-N-[(2-chlorophenyl)methyl]-2-fluoroaniline
CID 43385670
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline (CID 43229972) is N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline is CSc1ccccc1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline?
The InChIKey is RSAHLMZZQACQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NS/c1-18-14-5-3-2-4-13(14)17-9-10-6-7-11(15)8-12(10)16/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline?
N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline has a molecular weight of 298.24 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline is sourced from PubChem (CID 43229972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).