N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine

C15H15Cl2NO2S — CID 83169424

IUPACN-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCc1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2NO2S/c1-21(19,20)15-7-3-6-14(17)13(15)10-18-9-11-4-2-5-12(16)8-11/h2-8,18H,9-10H2,1H3
InChIKeyZDKFXCGPLNLRKK-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.69
Rot. Bonds5

About N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine (PubChem CID 83169424) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine
PubChem CID83169424
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCc1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2NO2S/c1-21(19,20)15-7-3-6-14(17)13(15)10-18-9-11-4-2-5-12(16)8-11/h2-8,18H,9-10H2,1H3
InChIKeyZDKFXCGPLNLRKK-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

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Related Compounds

N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide
CID 83170434
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 83169313
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(4-methyl-2-pyridinyl)methanamine
CID 167982227
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide
CID 102674823
2-bromo-N-[(2-chloro-6-methylsulfonylphenyl)methyl]prop-2-en-1-amine
CID 104589766
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 104589925
1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 83167952
1-(2-chloro-6-methylsulfonylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 83170912
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine
CID 83169561
N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 48563112
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-ethylethanesulfonamide
CID 104589776

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine?
The IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine (CID 83169424) is N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine?
The canonical SMILES for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine is CS(=O)(=O)c1cccc(Cl)c1CNCc1cccc(Cl)c1.
What is the InChIKey of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine?
The InChIKey is ZDKFXCGPLNLRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-21(19,20)15-7-3-6-14(17)13(15)10-18-9-11-4-2-5-12(16)8-11/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine?
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)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-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine is sourced from PubChem (CID 83169424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).