N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine

C15H15Cl2NO2S — CID 48563474

IUPACN-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2NO2S/c1-21(19,20)13-5-2-11(3-6-13)9-18-10-12-4-7-14(16)15(17)8-12/h2-8,18H,9-10H2,1H3
InChIKeyOEAPRLYATXOWLF-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.69
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine

N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine (PubChem CID 48563474) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
PubChem CID48563474
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2NO2S/c1-21(19,20)13-5-2-11(3-6-13)9-18-10-12-4-7-14(16)15(17)8-12/h2-8,18H,9-10H2,1H3
InChIKeyOEAPRLYATXOWLF-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine 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

N-[(3-chloro-5-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 114452804
N-[(3,4-dichlorophenyl)methyl]-2-ethylsulfonylethanamine
CID 103643069
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 104878878
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 104796856
N-[(4-methylsulfonylphenyl)methyl]formamide
CID 64992052
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 47331653
2-chloro-N-[(4-methylphenyl)methyl]-5-methylsulfonylaniline
CID 43682080
N,N'-bis[3-[(4-methylsulfonylphenyl)methylamino]propyl]heptane-1,7-diamine;tetrahydrochloride
CID 14791342
N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675178
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 19680647
N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 61068734

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine (CID 48563474) is N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine?
The InChIKey is OEAPRLYATXOWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-21(19,20)13-5-2-11(3-6-13)9-18-10-12-4-7-14(16)15(17)8-12/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine?
N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine has a molecular weight of 344.26 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 48563474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).